SCHEMBL178275

SCHEMBL178275

CCc1ccc(N2CCN(C)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
CHKA P35790 2/20 0.61
KDM4E B2RXH2 5/20 0.59
GAA P10253 4/20 0.59
MAPT P10636 4/20 0.59
GFER P55789 2/20 0.59
KMT2A Q03164 2/20 0.59
PTK2B Q14289 2/20 0.59
ADRA2C P18825 1/20 0.59
ESR2 Q92731 1/20 0.59
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
NCF1 P14598 1/20 0.57
SIRT6 Q8N6T7 1/20 0.50
HDAC3 O15379 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
MAPK1 P28482 2/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
HSP90AA1 P07900 1/20 0.48

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
SCHEMBL28758087 0.91 KDM4E (0.61) ALDH1A1CHKAKDM4EGAAMAPT
SCHEMBL24478669 0.88 ALDH1A1 (0.52) ALDH1A1CHKAKDM4EGAAMAPT
SCHEMBL8353735 0.84 CHKA (0.57) ALDH1A1CHKAKDM4EGAAMAPT
SCHEMBL12128002 0.83 KDM4E (0.63) KDM4EMAPTRAB9ANPC1MAPK1
SCHEMBL23655782 0.83 ADRB1 (0.53) ALDH1A1KDM4EGAAMAPTGFER
SCHEMBL23543151 0.83 L3MBTL3 (0.55) ALDH1A1KDM4EMAPTKMT2ARAB9A
SCHEMBL19718448 0.83 KMT2A (0.55) ALDH1A1KDM4EMAPTKMT2ARAB9A
SCHEMBL12313402 0.83 POLB (0.62) ALDH1A1KDM4EGAAMAPTGFER
SCHEMBL24715763 0.83 KDM4E (0.57) ALDH1A1CHKAKDM4EGAAMAPT
SCHEMBL2056142 0.83 KDM4E (0.57) ALDH1A1CHKAKDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024039210-A1 COMPOUNDS FOR INHIBITING OR DECOMPOSING CDK2 AND/OR CDK9, AND MEDICINAL USES THEREOF 한국화학연구원 2024-02-22 WO disclosed
EP-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 EP disclosed
US-20230322761-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-20230322761-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-11771775-B2 Pyrrolobenzodiazepine-antibody conjugates MEDIMMUNE LIMITED (GB) 2023-10-03 US disclosed
US-11702473-B2 Site-specific antibody-drug conjugates MEDIMMUNE LIMITED (GB) 2023-07-18 US disclosed
US-11690918-B2 Pyrrolobenzodiazepine-anti-CD22 antibody conjugates MEDIMMUNE LIMITED (GB) 2023-07-04 US disclosed
US-11649250-B2 Pyrrolobenzodiazepine conjugates MEDIMMUNE LIMITED (GB) 2023-05-16 US disclosed
US-11548890-B1 HPK1 antagonists and uses thereof Nimbus Saturn, Inc. (US) 2023-01-10 US disclosed
US-11524969-B2 Pyrrolobenzodiazepines and conjugates thereof as antitumour agents MEDIMMUNE LIMITED (GB) 2022-12-13 US disclosed
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-07-26 US disclosed
WO-2007053452-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2007-05-10 WO disclosed
US-7173004-B2 Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
WO-2006077424-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077428-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077425-A1 COMBINATIONS OF PYRAZOLE KINASE INHIBITORS AND FURTHER ANTITUMOR AGENTS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006074924-A1 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES NOVARTIS AG (CH) 2006-07-20 WO disclosed
WO-2005012256-A1 3, 4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-02-10 WO disclosed
WO-2003020278-A1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES NOVARTIS AG (CH) 2003-03-13 WO 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 (8 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-11548890-B1 HPK1 antagonists and uses thereof PDXK, HIPK1, PCK1 ALDH1A1 4740/4885CHKA 209/4885KDM4E 3143/4885
US-11690918-B2 Pyrrolobenzodiazepine-anti-CD22 antibody conjugates CD22, CD2, CD2BP2 ALDH1A1 778/4885CHKA 2853/4885KDM4E 1572/4885
US-11524969-B2 Pyrrolobenzodiazepines and conjugates thereof as antitumour agents PBRM1, HDAC6, NPM1 ALDH1A1 1297/4885CHKA 2567/4885KDM4E 1557/4885
US-20230322761-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BTK, CBL, LYN ALDH1A1 4351/4885CHKA 870/4885KDM4E 983/4885
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 ALDH1A1 2911/4885CHKA 1474/4885KDM4E 1843/4885
US-11649250-B2 Pyrrolobenzodiazepine conjugates CD79B, GABRG2, GABRA1 ALDH1A1 169/4885CHKA 1683/4885KDM4E 1880/4885
US-11771775-B2 Pyrrolobenzodiazepine-antibody conjugates CD79B, BCL6B, BCL6 ALDH1A1 3769/4885CHKA 3295/4885KDM4E 1391/4885
US-11702473-B2 Site-specific antibody-drug conjugates SBDS, DCTD, DRD1 ALDH1A1 442/4885CHKA 1809/4885KDM4E 1663/4885

“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.