SCHEMBL20840010

SCHEMBL20840010

O=S(=O)(c1ccccc1)n1c(CO)cc2c(Cl)ccnc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.45
ENPP3 O14638 2/20 0.45
ENPP1 P22413 2/20 0.45
SRC P12931 2/20 0.42
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RECQL P46063 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
CYP2C19 P33261 1/20 0.36

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
SCHEMBL20840644 0.90 PTGDR2 (0.43) PTGDR2ENPP3ENPP1SRCKDM4E
SCHEMBL18980291 0.88 PIK3C3 (0.46) PTGDR2ENPP3ENPP1SRCKDM4E
SCHEMBL22285821 0.88 PTGDR2 (0.42) PTGDR2ENPP3ENPP1SRCKDM4E
SCHEMBL20840165 0.85 PTGDR2 (0.41) PTGDR2ENPP3ENPP1SRCKDM4E
SCHEMBL23911434 0.85 PTGDR2 (0.41) PTGDR2ENPP3ENPP1SRCKDM4E
SCHEMBL3413866 0.85 PTGDR2 (0.45) PTGDR2SRCALDH1A1RECQLPIK3C3
SCHEMBL23910976 0.85 PTGDR2 (0.43) PTGDR2ENPP3ENPP1SRCKDM4E
SCHEMBL20839962 0.84 PTGDR2 (0.45) PTGDR2ENPP3ENPP1SRCPIK3C3
SCHEMBL1154907 0.82 PTGDR2 (0.48) PTGDR2ENPP3ENPP1SRCKDM4E
SCHEMBL29959159 0.82 PTGDR2 (0.48) PTGDR2ENPP3ENPP1SRCKDM4E

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 6 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-20210317134-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF RAPT THERAPEUTICS INC (US) 2021-10-14 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 (3 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 PTGDR2 2641/4885ENPP3 3138/4885ENPP1 2964/4885
US-11407767-B2 Heterocyclyl substituted pyrrolopyridines that are inhibitors of the CDK12 kinase CDK1, CDK11A, CDK12 PTGDR2 2641/4885ENPP3 3138/4885ENPP1 2964/4885
US-20210317134-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF USP7, SENP7, USP8 PTGDR2 4346/4885ENPP3 1611/4885ENPP1 1543/4885

“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.