SCHEMBL738951

SCHEMBL738951

COc1cc(C(=O)NC2CCC(N3CCN(CC4CC4)CC3)CC2)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDXK O00764 1/20 0.52
BRD4 O60885 1/20 0.52
WEE1 P30291 1/20 0.52
NEK3 P51956 1/20 0.52
PLK1 P53350 1/20 0.52
PTK2 Q05397 1/20 0.52
BRDT Q58F21 1/20 0.52
CAMKK2 Q96RR4 1/20 0.52
PLK3 Q9H4B4 1/20 0.52
PLK2 Q9NYY3 1/20 0.52
IGF1R P08069 4/20 0.51
HTR4 Q13639 2/20 0.49
MAPK14 Q16539 1/20 0.46
ACHE P22303 1/20 0.44
MCHR1 Q99705 1/20 0.44
F10 P00742 1/20 0.44

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
SCHEMBL12662354 1.00 PDXK (0.52) PDXKBRD4WEE1NEK3PLK1
SCHEMBL736977 1.00 PDXK (0.52) PDXKBRD4WEE1NEK3PLK1
SCHEMBL12893295 0.96 PDXK (0.50) PDXKBRD4WEE1NEK3PLK1
SCHEMBL13457659 0.92 HTR4 (0.52) HTR4ACHEMCHR1F10
SCHEMBL12893438 0.90 HTR4 (0.52) PDXKBRD4WEE1NEK3PLK1
SCHEMBL12893778 0.90 HTR4 (0.52) PDXKBRD4WEE1NEK3PLK1
SCHEMBL12893418 0.90 HTR4 (0.57) HTR4ACHEMCHR1
SCHEMBL13652983 0.89 IGF1R (0.53) PDXKBRD4WEE1NEK3PLK1
SCHEMBL18623963 0.89 IGF1R (0.53) PDXKBRD4WEE1NEK3PLK1
SCHEMBL13457686 0.88 HTR4 (0.52) HTR4ACHEMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688685-B2 Method for preparing volasertib and intermediate thereof SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2017-06-27 US disclosed
US-9688685-B2 Method for preparing volasertib and intermediate thereof SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2017-06-27 US disclosed
US-20170073350-A1 Method for Preparing Volasertib and Intermediate thereof SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2017-03-16 US disclosed
US-20170073350-A1 Method for Preparing Volasertib and Intermediate thereof SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2017-03-16 US disclosed
US-9493471-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2016-11-15 US disclosed
US-9493471-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2016-11-15 US disclosed
US-9493471-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2016-11-15 US disclosed
EP-2610256-B1 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LTD (GB) 2016-04-27 EP disclosed
EP-2610256-B1 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LTD (GB) 2016-04-27 EP disclosed
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2015-12-03 US disclosed
US-7759485-B2 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-20 US disclosed
EP-2205603-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS Cyclacel Limited (GB) 2010-07-14 EP disclosed
WO-2010025073-A1 DIHYDROIMIDAZO [ 1, 5-F] PTERIDINES AS POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 WO disclosed
WO-2009040556-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2009-04-02 WO disclosed
WO-2009040556-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2009-04-02 WO disclosed
US-20090030004-A1 SPECIFIC SALT, ANHYDROUS AND CRYSTALLINE FORM OF A DIHYDROPTERIDIONE DERIVATIVE ONCOHEROES BIOSCIENCES INC. 2009-01-29 US disclosed
US-7439358-B2 Specific salt, anhydrous and crystalline form of a dihydropteridione derivative BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-21 US disclosed
US-20080177066-A1 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-24 US disclosed
US-20080177066-A1 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-24 US disclosed
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 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 (5 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-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 PDXK 1115/4885BRD4 453/4885WEE1 3301/4885
US-20080177066-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH PDXK 1424/4885BRD4 4869/4885WEE1 4357/4885
US-20170073350-A1 Method for Preparing Volasertib and Intermediate thereof CDK8, MDK, WEE1 PDXK 82/4885BRD4 535/4885WEE1 3/4885
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS DCK, DTYMK, TK1 PDXK 37/4885BRD4 1149/4885WEE1 374/4885
US-20090030004-A1 SPECIFIC SALT, ANHYDROUS AND CRYSTALLINE FORM OF A DIHYDROPTERIDIONE DERIVATIVE QDPR, REN, DHPS PDXK 728/4885BRD4 645/4885WEE1 3650/4885

“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.