SCHEMBL20839701

SCHEMBL20839701

O=C(O)[C@H]1CCCN1C(=O)CCl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 10/20 0.62
▸ MVD P53602 2/20 0.51
▸ REN P00797 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ F2 P00734 1/20 0.50
▸ LTA4H P09960 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ PEPD P12955 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ PTGS2 P35354 1/20 0.50
▸ HRH1 P35367 1/20 0.50
▸ THPO P40225 1/20 0.50
▸ PMP22 Q01453 1/20 0.50
▸ ACE2 Q9BYF1 1/20 0.50
▸ RAB9A P51151 1/20 0.49

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
SCHEMBL3200494 1.00 ACE (0.62) ACEMVDRENLMNAHSD17B10
SCHEMBL1170836 1.00 ACE (0.62) ACEMVDRENLMNAHSD17B10
SCHEMBL3717332 0.94 ACE (0.56) ACEMVDRENLMNAHSD17B10
SCHEMBL3717330 0.94 ACE (0.56) ACEMVDRENLMNAHSD17B10
N-Acetylproline SCHEMBL9365811 0.92 ACE (0.54) ACEMVDRENLMNAHSD17B10
SCHEMBL5702012 0.88 ACE (0.47) ACEMVDRENLMNAHSD17B10
SCHEMBL5702040 0.88 ACE (0.47) ACEMVDRENLMNAHSD17B10
SCHEMBL6782705 0.84 ACE (0.72) ACEMVDREN
SCHEMBL6782701 0.84 ACE (0.72) ACEMVDREN
SCHEMBL1239264 0.83 DPP4 (0.49) ACELMNA

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 ACE 4358/4885MVD 3275/4885REN 3109/4885
US-11407767-B2 Heterocyclyl substituted pyrrolopyridines that are inhibitors of the CDK12 kinase CDK1, CDK11A, CDK12 ACE 4358/4885MVD 3275/4885REN 3109/4885

“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.

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