Volasertib

Volasertib

SCHEMBL2169101

CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCC(N5CCN(CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PLK1

The experimentally established mechanism targets of Volasertib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 known ✓ P53350 17/20 1.00
BRD4 O60885 12/20 1.00
PLK3 Q9H4B4 6/20 1.00
PTK2 Q05397 4/20 1.00
BRDT Q58F21 4/20 1.00
PLK2 Q9NYY3 4/20 1.00
PDXK O00764 2/20 1.00
NEK3 P51956 2/20 1.00
CAMKK2 Q96RR4 2/20 1.00
WEE1 P30291 1/20 1.00
PRKD3 O94806 3/20 0.64
CLK2 P49760 3/20 0.64
CAMK2G Q13555 3/20 0.64
CAMK2D Q13557 3/20 0.64
PRKD2 Q9BZL6 3/20 0.64
CSNK1G1 Q9HCP0 3/20 0.64
CSNK1G3 Q9Y6M4 3/20 0.64
MAP4K4 O95819 2/20 0.64
PRKCG P05129 2/20 0.64
RPS6KA3 P51812 2/20 0.64

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Volasertib SCHEMBL16984415 1.00 PLK1 (1.00) PLK1BRD4PLK3PTK2BRDT
Volasertib SCHEMBL30753526 1.00 PLK1 (1.00) PLK1BRD4PLK3PTK2BRDT
Volasertib SCHEMBL9888052 1.00 PLK1 (1.00) PLK1BRD4PLK3PTK2BRDT
Volasertib SCHEMBL18636896 1.00 PLK1 (1.00) PLK1BRD4PLK3PTK2BRDT
Volasertib SCHEMBL14136759 1.00 PLK1 (1.00) PLK1BRD4PLK3PTK2BRDT
Volasertib SCHEMBL738946 1.00 PLK1 (1.00) PLK1BRD4PLK3PTK2BRDT
Volasertib SCHEMBL29363620 1.00 PLK1 (1.00) PLK1BRD4PLK3PTK2BRDT
Volasertib SCHEMBL18636919 1.00 PLK1 (1.00) PLK1BRD4PLK3PTK2BRDT
Volasertib SCHEMBL21916558 1.00 PLK1 (1.00) PLK1BRD4PLK3PTK2BRDT
Volasertib SCHEMBL29644957 0.99 PLK1 (0.99) PLK1BRD4PLK3PTK2BRDT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 169 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025101836-A1 METHOD FOR INDUCING ANEUPLOIDY AND/OR CHROMOSOMAL INSTABILITY IN HUMAN OR NON-HUMAN PRIMATE PLURIPOTENT STEM CELLS AND DIAGNOSTIC/THERAPEUTIC USES THEREOF THE TRUSTEES OF DARTMOUTH COLLEGE (US) 2025-05-15 WO claimed
CN-117794523-A Cancer treatment using PARP inhibitors and PLK1 inhibitors 凯帝夫肿瘤科技有限公司 2024-03-29 CN claimed
EP-3098223-A1 CRYSTALLINE FORM OF A DIHYDROPTERIDIONE DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2016-11-30 EP claimed
US-8664222-B2 Specific salt, anhydrous and crystalline form of a dihydropteridione derivative BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-04 US claimed
EP-2543669-A2 Trihydrochloride forms of a dihydropteridinone derivative and processes for preparation Boehringer Ingelheim International GmbH (DE) 2013-01-09 EP claimed
US-8329695-B2 Crystalline form of the free base N-[trans-4-[4-(cyclopropylmethyl)-1-piperazinyl]cyclohexyl]-4-[[(7r)-7-ethyl-5,6,7,8-tetrahydro-5-methyl-8-(1-methylethyl)-6-oxo-2-pteridinyl]amino]-3-methoxy-benzamide BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-11 US claimed
US-20120214995-A1 SPECIFIC SALT, ANHYDROUS AND CRYSTALLINE FORM OF A DIHYDROPTERIDIONE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US claimed
US-8188086-B2 Specific salt, anhydrous and crystalline form of a dihydropteridione derivative BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-29 US claimed
EP-2340837-A1 Combination treatment of cancer comprising EGFR/HER2 inhibitors Boehringer Ingelheim International GmbH (DE) 2011-07-06 EP claimed
US-20100280037-A1 CRYSTALLINE FORM OF A DIHYDROPTERIDIONE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US claimed
EP-2185559-A1 CRYSTALLINE FORM OF A DIHYDROPTERIDIONE DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2010-05-19 EP claimed
US-20090306101-A1 COMBINATION TREATMENT OF CANCER COMPRISING EGFR/HER2 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 US claimed
WO-2009019205-A1 CRYSTALLINE FORM OF A DIHYDROPTERIDIONE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-12 WO claimed
US-20090030004-A1 SPECIFIC SALT, ANHYDROUS AND CRYSTALLINE FORM OF A DIHYDROPTERIDIONE DERIVATIVE ONCOHEROES BIOSCIENCES INC. 2009-01-29 US claimed
EP-1984367-A1 TRIHYDROCHLORIDE FORMS OF A DIHYDROPTERIDINONE DERIVATIVE AND PROCESSES FOR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-29 EP claimed
US-7439358-B2 Specific salt, anhydrous and crystalline form of a dihydropteridione derivative BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-21 US claimed
US-20070203146-A1 N-[trans-4-[4-(cyclopropylmethyl)-1-piperazinyl]cyclohexyl]-4-[[(7R)-7-ethyl-5,6,7,8-tetrahydro-5-methyl-8-(1-methylethyl)-6-oxo-2-pteridinyl]amino]-3-methoxy-benzamide ONCOHEROES BIOSCIENCES INC. 2007-08-30 US claimed
WO-2007090844-A1 TRIHYDROCHLORIDE FORMS OF A DIHYDROPTERIDINONE DERIVATIVE AND PROCESSES FOR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 WO claimed
US-12622911-B2 Methods and compositions for the treatment of pulmonary fibrosis using volasertib CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2026-05-12 US disclosed
US-20060035903-A1 Storage stable perfusion solution for dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060035903-A1 Storage stable perfusion solution for dihydropteridinones QDPR, F5, F12 PLK1 2334/4885BRD4 4860/4885PLK3 2069/4885
US-20120214995-A1 SPECIFIC SALT, ANHYDROUS AND CRYSTALLINE FORM OF A DIHYDROPTERIDIONE DERIVATIVE QDPR, REN, DHPS PLK1 2489/4885BRD4 645/4885PLK3 1248/4885
US-20100280037-A1 CRYSTALLINE FORM OF A DIHYDROPTERIDIONE DERIVATIVE QDPR, DHPS, DPYD PLK1 3099/4885BRD4 2295/4885PLK3 1986/4885
US-20070203146-A1 N-[trans-4-[4-(cyclopropylmethyl)-1-piperazinyl]cyclohexyl]-4-[[(7R)-7-ethyl-5,6,7,8-tetrahydro-5-methyl-8-(1-methylethyl)-6-oxo-2-pteridinyl]amino]-3-methoxy-benzamide DHPS, PKD1, AQP4 PLK1 2690/4885BRD4 453/4885PLK3 713/4885
US-12622911-B2 Methods and compositions for the treatment of pulmonary fibrosis using volasertib PLK1, MMP1, DSP PLK1 1/4885BRD4 316/4885PLK3 74/4885
US-20090306101-A1 COMBINATION TREATMENT OF CANCER COMPRISING EGFR/HER2 INHIBITORS EGFR, ERBB2, ERBB3 PLK1 391/4885BRD4 1015/4885PLK3 3508/4885
US-20090030004-A1 SPECIFIC SALT, ANHYDROUS AND CRYSTALLINE FORM OF A DIHYDROPTERIDIONE DERIVATIVE QDPR, REN, DHPS PLK1 2489/4885BRD4 645/4885PLK3 1248/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.