SCHEMBL20839754

SCHEMBL20839754

COC(=O)c1cnn2nc(C)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.44
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 3/20 0.40
CCNK O75909 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
MAPT P10636 5/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
DYRK1A Q13627 1/20 0.38
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 2/20 0.37

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
SCHEMBL20839878 0.83 KMT2A (0.45) SPRKDM4EALDH1A1HSD17B10LMNA
SCHEMBL15232211 0.76 ALDH1A1 (0.44) KDM4EALDH1A1HSD17B10LMNAKMT2A
SCHEMBL21818631 0.76 ATM (0.46) SPRKDM4EALDH1A1HSD17B10LMNA
SCHEMBL30965404 0.73 SLC6A3 (0.43) ALDH1A1TSHRNPC1HPGDL3MBTL1
SCHEMBL17437961 0.72 SPR (0.44) SPRKDM4EALDH1A1HSD17B10LMNA
SCHEMBL31389510 0.71 KDM4E (0.45) SPRKDM4EALDH1A1HSD17B10LMNA
SCHEMBL17320982 0.71 EPHB3 (0.56) KDM4EALDH1A1HSD17B10LMNAKMT2A
SCHEMBL30926370 0.71 RAB9A (0.47) KDM4EALDH1A1LMNAKMT2ATSHR
SCHEMBL15232194 0.70 KMT2A (0.43) SPRKDM4ELMNAKMT2ACCNK
SCHEMBL31400306 0.69 POLB (0.45) KDM4EALDH1A1HSD17B10KMT2ACCNK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3684776-B1 HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES THAT ARE INHIBITORS OF THE CDK12 KINASE UNIV NOTTINGHAM (GB) 2023-11-01 EP disclosed
US-11407767-B2 Heterocyclyl substituted pyrrolopyridines that are inhibitors of the CDK12 kinase UNIV NOTTINGHAM (GB) 2022-08-09 US disclosed
US-20200247824-A1 HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES THAT ARE INHIBITORS OF THE CDK12 KINASE THE UNIVERSITY OF NOTTINGHAM (GB) 2020-08-06 US disclosed
EP-3684776-A1 HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES THAT ARE INHIBITORS OF THE CDK12 KINASE The University of Nottingham (GB) 2020-07-29 EP disclosed
WO-2019058132-A1 HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES THAT ARE INHIBITORS OF THE CDK12 KINASE THE UNIVERSITY OF NOTTINGHAM (GB) 2019-03-28 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 (2 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-20200247824-A1 HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES THAT ARE INHIBITORS OF THE CDK12 KINASE CDK1, CDK11A, CDK12 SPR 3234/4885KDM4E 1068/4885ALDH1A1 4568/4885
US-11407767-B2 Heterocyclyl substituted pyrrolopyridines that are inhibitors of the CDK12 kinase CDK1, CDK11A, CDK12 SPR 3234/4885KDM4E 1068/4885ALDH1A1 4568/4885

“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.