SCHEMBL249047

SCHEMBL249047

CCc1cccc(C=O)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.40
F2R P25116 2/20 0.38
PARP1 P09874 1/20 0.38
TERT O14746 10/20 0.36
ALDH1A1 P00352 1/20 0.36
KCNH2 Q12809 1/20 0.35
CXCR4 P61073 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL7095200 0.84 KCNH2 (0.46) CCR1F2RTERTALDH1A1KCNH2
SCHEMBL12664449 0.83 KCNH2 (0.45) CCR1TERTALDH1A1KCNH2
SCHEMBL7092724 0.81 KCNH2 (0.56) CCR1F2RKCNH2
SCHEMBL7685865 0.81 F2R (0.37) F2RPARP1KCNH2CXCR4CHRNB2
SCHEMBL660572 0.81 PARP1 (0.39) F2RPARP1KCNH2CXCR4CHRNB2
SCHEMBL6605431 0.80 CCR4 (0.36) CCR1TERTALDH1A1
SCHEMBL945430 0.79 CCR1 (0.40) CCR1F2RTERTALDH1A1
SCHEMBL22354808 0.79 CCR1 (0.40) CCR1TERTALDH1A1
SCHEMBL29951735 0.79 CCR1 (0.40) CCR1TERTALDH1A1
SCHEMBL6984612 0.79 CCR1 (0.40) CCR1TERTALDH1A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101367891-B Nitrogen-nitrogen-oxygen nickel complex catalytic system for addition polymerisation of norbornene and its derivant, preparation method and uses thereof UNIV SOUTH CENTRAL NATIONALITI 2010-09-08 CN claimed
CN-101367891-A Nitrogen-nitrogen-oxygen nickel complex catalytic system for addition polymerisation of norbornene and its derivant, preparation method and uses thereof SOUTH CENTRAL UNIVERSITY FOR N (CN) 2009-02-18 CN claimed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
CN-111285873-A RET inhibitors, pharmaceutical compositions thereof and uses thereof 广东东阳光药业有限公司 2020-06-16 CN disclosed
US-RE47122-E1 2-pyridyl substituted imidazoles as therapeutic ALK5 and/or ALK4 inhibitors EWHA University—Industry Collaboration Foundation (KR) 2018-11-13 US disclosed
US-20180215730-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES, INC. 2018-08-02 US disclosed
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 US disclosed
EP-2947081-B1 2-Pyridyl substituted imidazoles as therapeutic Alk5 and/or Alk4 inhibitors EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUND (KR) 2017-10-18 EP disclosed
US-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-09-21 US disclosed
EP-2641910-B1 CHIRAL SPIRO-PYRIDYLAMIDOPHOSPHINE LIGAND COMPOUND, SYNTHESIS METHOD THEREFOR AND APPLICATION THEREOF ZHEJIANG JIUZHOU PHARMA SCIENCE & TECH CO LTD (CN) 2017-06-28 EP disclosed
EP-2588479-B3 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS THERAPEUTIC ALK5 AND/OR ALK4 INHIBITORS EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUND (KR) 2017-03-29 EP disclosed
CN-1098263-C Pyridin-2-yl-methylamine derivatives, method of preparing and application as medicine PF MEDICAMENT (FR) 2003-01-08 CN disclosed
US-6020345-A Pyridin-2-yl-methylamine derivatives, method of preparing and application as medicine PIERRE FABRE MEDICAMENT (FR) 2000-02-01 US disclosed
CN-1242772-A Pyridin-2-yl-methylamine derivatives, method of preparing and application as medicine PF MEDICAMENT (FR) 2000-01-26 CN disclosed
EP-0946546-A1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 1999-10-06 EP disclosed
WO-1998022459-A1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 1998-05-28 WO disclosed
US-5506227-A USEFUL AS ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND CYTOPROTECTIVE AGENTS MERCK FROSST CANADA, INC. (CA) 1996-04-09 US disclosed
EP-0639181-A1 PYRIDINE-SUBSTITUTED BENZYL ALCOHOLS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1995-02-22 EP disclosed
WO-1993021158-A1 PYRIDINE-SUBSTITUTED BENZYL ALCOHOLS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1993-10-28 WO disclosed
US-4267318-A 1-(Diarylmethyl)-4-piperidinamine and derivatives thereof G. D. SEARLE & CO. (US) 1981-05-12 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 (4 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-10035801-B2 Pyrazolo compounds and uses thereof KDM5A, KDM5C, KDM5B CCR1 3724/4885F2R 3839/4885PARP1 386/4885
US-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 CCR1 2036/4885F2R 1849/4885PARP1 3808/4885
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 CCR1 1981/4885F2R 285/4885PARP1 1083/4885
US-20180215730-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ADORA2A, ADORA2B, ADORA1 CCR1 447/4885F2R 334/4885PARP1 588/4885

“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.