SCHEMBL2632039

SCHEMBL2632039

CCOCCCN1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.47
HRH2 P25021 3/20 0.43
HRH1 P35367 3/20 0.43
HRH3 Q9Y5N1 2/20 0.43
GNAO1 P09471 5/20 0.42
GNAI3 P08754 4/20 0.42
GNAI1 P63096 4/20 0.42
SIGMAR1 Q99720 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL21348463 0.96 CXCR4 (0.44) CXCR4HRH2HRH1HRH3GNAO1
SCHEMBL10034551 0.94 CXCR4 (0.48) CXCR4HRH2HRH1HRH3GNAO1
SCHEMBL25980827 0.93 CXCR4 (0.59) CXCR4HRH2HRH1HRH3GNAO1
SCHEMBL20333191 0.92 CXCR4 (0.44) CXCR4HRH2HRH1HRH3GNAO1
SCHEMBL10926853 0.92 CXCR4 (0.52) CXCR4HRH2HRH1GNAO1GNAI3
SCHEMBL92631 0.92 CXCR4 (0.45) CXCR4HRH2HRH1HRH3SIGMAR1
Hydrochloric Acid SCHEMBL28691369 0.90 CXCR4 (0.44) CXCR4HRH2HRH1GNAO1GNAI3
SCHEMBL14141932 0.88 MEN1 (0.47) CXCR4HRH1SIGMAR1SMN1; SMN2POLB
SCHEMBL12442021 0.86 MEN1 (0.46) CXCR4HRH2HRH1SIGMAR1SMN1; SMN2
SCHEMBL21348420 0.86 CXCR4 (0.46) CXCR4HRH2HRH1HRH3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 US disclosed
EP-3660004-B1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS INC (US) 2023-02-22 EP disclosed
WO-2021067606-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-04-08 WO disclosed
WO-2020023851-A1 BIFUNCTIONAL SUBSTITUED PYRIMIDINES AS MODULATORS OF FAK PROTEOLYSE YALE UNIVERSITY (US) 2020-01-30 WO disclosed
WO-2018119441-A9 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2019-10-10 WO disclosed
WO-2018140809-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-08-02 WO disclosed
WO-2018119441-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-06-28 WO disclosed
WO-2018119448-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES Arvinas, Inc. (US) 2018-06-28 WO disclosed
WO-2018102067-A2 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-06-07 WO disclosed
WO-2018071606-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. (US) 2018-04-19 WO disclosed
US-8822448-B2 Pyrazoloquinoline compound ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
US-8822448-B2 Pyrazoloquinoline compound ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
US-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-08-29 US disclosed
US-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-08-29 US disclosed
US-20120094976-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 US disclosed
EP-0154669-A1 Catalyst for urethane foam blown with carboxylic acids ABBOTT LABORATORIES (US) 1985-09-18 EP disclosed
EP-0144573-A2 Catalyst system for the production of polyurethanes AIR PRODUCTS AND CHEMICALS, INC. (US) 1985-06-19 EP disclosed
US-4500654-A N-SUBSTITUTED ALKOXYALKYL PIPERAZINE ABBOTT LABORATORIES (US) 1985-02-19 US disclosed
US-4473666-A A DIALKYLCYCLOHEXYLAMINE AND AN N-SUBSTITUTED ALKOXYALKYL PIPERAZINE ABBOTT LABORATORIES (US) 1984-09-25 US disclosed
US-4028348-A 6-Amino-5β,19-cycloandrostane derivatives RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1977-06-07 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 (3 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-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND PDE9A, PDE5A, PDE2A CXCR4 3555/4885HRH2 2709/4885HRH1 3372/4885
US-20120094976-A1 NEW CHEMICAL COMPOUNDS CCNB1, MKI67, CCNA1 CXCR4 1033/4885HRH2 397/4885HRH1 150/4885
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF KRAS, NRAS, BRAF CXCR4 1360/4885HRH2 1972/4885HRH1 1218/4885

“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.