SCHEMBL20839770

SCHEMBL20839770

C=CC(=O)Nc1cncc(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
TGM2 P21980 8/20 0.49
HCAR2 Q8TDS4 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
DDO Q99489 1/20 0.44
F13A1 P00488 1/20 0.42
TGM1 P22735 1/20 0.42
TGM3 Q08188 1/20 0.42
MAPK3 P27361 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
SCHEMBL503852 0.80 TGM2 (0.57) TGM2MEN1KMT2ALMNAPOLB
SCHEMBL7776267 0.80 TGM2 (0.57) ALDH1A1TGM2MEN1KMT2ALMNA
SCHEMBL24568741 0.78 TGM2 (0.58) ALDH1A1TGM2HCAR2MEN1KMT2A
SCHEMBL16097290 0.78 TGM2 (0.46) KDM4EALDH1A1TGM2MEN1KMT2A
SCHEMBL31015916 0.77 KDM4E (0.68) KDM4EALDH1A1HCAR2MEN1KMT2A
SCHEMBL22139456 0.77 ALDH1A1 (0.62) KDM4EALDH1A1HCAR2MEN1KMT2A
SCHEMBL185842 0.77 KDM4E (0.68) KDM4EALDH1A1HCAR2MEN1KMT2A
SCHEMBL16918471 0.75 ALDH1A1 (0.59) KDM4EALDH1A1HCAR2MEN1KMT2A
SCHEMBL1668968 0.75 TGM2 (0.65) TGM2MEN1KMT2ALMNA
SCHEMBL15456304 0.75 ALDH1A1 (0.59) KDM4EALDH1A1HCAR2MEN1KMT2A

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 KDM4E 1068/4885ALDH1A1 4568/4885TGM2 3151/4885
US-11407767-B2 Heterocyclyl substituted pyrrolopyridines that are inhibitors of the CDK12 kinase CDK1, CDK11A, CDK12 KDM4E 1068/4885ALDH1A1 4568/4885TGM2 3151/4885

“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.