SCHEMBL20840643

SCHEMBL20840643

COCCC(=O)Nc1ccccc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
KDM4E B2RXH2 3/20 0.60
POLB P06746 1/20 0.60
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
HCAR2 Q8TDS4 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 2/20 0.56
LMNA P02545 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL8464872 0.88 KDM4E (0.60) KMT2AKDM4EPOLBNPC1RAB9A
SCHEMBL9360758 0.88 KMT2A (0.73) KMT2AKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL16404495 0.85 KMT2A (0.69) KMT2AKDM4EPOLBNPC1RAB9A
SCHEMBL6990712 0.84 KDM4E (0.72) KMT2AKDM4EPOLBHCAR2ALDH1A1
SCHEMBL2968441 0.82 KMT2A (0.66) KMT2AKDM4EPOLBNPC1RAB9A
SCHEMBL8773562 0.82 KDM4E (0.57) KMT2AKDM4EPOLBNPC1RAB9A
SCHEMBL10711825 0.81 RAB9A (0.70) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3071027 0.81 RAB9A (0.56) KMT2APOLBNPC1RAB9ASMN1; SMN2
SCHEMBL12879817 0.81 KMT2A (0.69) KMT2AKDM4EPOLBNPC1RAB9A
SCHEMBL7824993 0.80 KMT2A (0.63) KMT2AKDM4EPOLBNPC1RAB9A

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 KMT2A 454/4885KDM4E 1068/4885POLB 69/4885
US-11407767-B2 Heterocyclyl substituted pyrrolopyridines that are inhibitors of the CDK12 kinase CDK1, CDK11A, CDK12 KMT2A 454/4885KDM4E 1068/4885POLB 69/4885

“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.