SCHEMBL20004285

SCHEMBL20004285

COc1ccccc1-c1ccn[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.56
HSD17B10 Q99714 3/20 0.54
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
CCNB2 O95067 1/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50
NOTUM Q6P988 1/20 0.50
SCN4A P35499 2/20 0.49
METAP2 P50579 1/20 0.49
ALDH1A1 P00352 7/20 0.48
MAPK1 P28482 2/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL16043233 0.79 CA12 (0.57) IDO1HSD17B10NOTUMSCN4AALDH1A1
SCHEMBL30231421 0.79 LTA4H (0.60) IDO1ADRA1AADRA1BNOTUMSCN4A
SCHEMBL29150300 0.77 NOTUM (0.50) IDO1NOTUMSCN4AALDH1A1CYP3A4
SCHEMBL11363023 0.77 METAP2 (0.45) HSD17B10CCNB2CDK1CCNB1GSK3A
SCHEMBL15652032 0.76 NOTUM (0.53) IDO1HSD17B10NOTUMSCN4AALDH1A1
SCHEMBL28919601 0.76 SCN4A (0.70) IDO1NOTUMSCN4ACYP1A2CYP3A4
SCHEMBL2481127 0.76 NOTUM (0.45) IDO1ADRA1AADRA1BNOTUMSCN4A
SCHEMBL27584417 0.75 NOTUM (0.51) IDO1HSD17B10NOTUMSCN4AALDH1A1
SCHEMBL23350640 0.75 IDO1 (0.62) IDO1NOTUMSCN4AMETAP2ALDH1A1
SCHEMBL16043513 0.74 JMJD6 (0.49) IDO1NOTUMCYP1A2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4085056-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER Berg LLC (US) 2022-11-09 EP disclosed
US-11066365-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors MISSION THERAPEUTICS LIMITED (GB) 2021-07-20 US disclosed
US-11053198-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors MISSION THERAPEUTICS LIMITED (GB) 2021-07-06 US disclosed
US-10689345-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors MISSION THERAPEUTICS LIMITED (GB) 2020-06-23 US disclosed
US-20200181086-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2020-06-11 US disclosed
US-20190322624-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2019-10-24 US disclosed
US-20190284138-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2019-09-19 US disclosed
US-20190270708-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2019-09-05 US disclosed
US-10343992-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors Missions Therapeutics Limited (GB) 2019-07-09 US disclosed
US-20180086708-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2018-03-29 US 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 (9 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-11066365-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors USP30, USP20, USP10 IDO1 870/4885HSD17B10 1360/4885ADRA1A 3870/4885
US-10343992-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors USP30, USP20, USP10 IDO1 877/4885HSD17B10 1262/4885ADRA1A 4079/4885
US-11053198-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors USP30, USP20, USP10 IDO1 877/4885HSD17B10 1262/4885ADRA1A 4079/4885
US-20200181086-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS USP30, USP20, USP10 IDO1 859/4885HSD17B10 1267/4885ADRA1A 4058/4885
US-20190284138-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS USP30, USP20, USP10 IDO1 870/4885HSD17B10 1360/4885ADRA1A 3870/4885
US-20180086708-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS USP30, USP20, USP10 IDO1 877/4885HSD17B10 1262/4885ADRA1A 4079/4885
US-20190322624-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS USP30, USP20, USP10 IDO1 877/4885HSD17B10 1262/4885ADRA1A 4079/4885
US-10689345-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors USP30, USP20, USP10 IDO1 877/4885HSD17B10 1262/4885ADRA1A 4079/4885
US-20190270708-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS USP30, USP20, USP10 IDO1 877/4885HSD17B10 1262/4885ADRA1A 4079/4885

“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.