SCHEMBL15344138

SCHEMBL15344138

Cc1ccnc(-c2cccc(C#N)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.56
GRM5 P41594 7/20 0.55
CYP1A2 P05177 3/20 0.53
CYP3A4 P08684 3/20 0.53
CYP2C19 P33261 3/20 0.53
HSD17B10 Q99714 3/20 0.53
CYP2D6 P10635 2/20 0.53
TSHR P16473 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2A6 P11509 1/20 0.53
ALOX15 P16050 2/20 0.51
CCR1 P32246 1/20 0.50
CCR5 P51681 1/20 0.50
CCR8 P51685 1/20 0.50
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 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
SCHEMBL9792939 0.86 CLK4 (0.62) CLK4GRM5CYP1A2CYP3A4CYP2C19
SCHEMBL21101647 0.81 CCR1 (0.55) GRM5CYP2A6CCR1CCR5CCR8
SCHEMBL10389736 0.81 CLK4 (0.59) CLK4GRM5CYP1A2CYP3A4CYP2C19
SCHEMBL12408987 0.81 CYP2A6 (0.65) GRM5KDM4ECYP2A6CCR1CCR5
SCHEMBL21141650 0.81 CLK4 (0.56) CLK4GRM5CYP1A2CYP3A4CYP2C19
SCHEMBL21141869 0.80 CLK4 (0.51) CLK4GRM5CYP1A2CYP3A4CYP2C19
SCHEMBL22567049 0.80 CLK4 (0.51) CLK4GRM5CYP1A2CYP3A4CYP2C19
SCHEMBL15340930 0.80 CLK4 (0.51) CLK4GRM5CYP1A2CYP3A4CYP2C19
SCHEMBL16016610 0.79 GABRG2 (0.63) CLK4GRM5CYP1A2CYP3A4CYP2C19
SCHEMBL901240 0.79 KARS1 (0.68) CLK4GRM5CYP1A2CYP3A4CYP2C19

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
US-20220177451-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DUB INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2022-06-09 US disclosed
US-11352339-B2 1-cyano-pyrrolidine derivatives as DUB inhibitors MISSION THERAPEUTICS LIMITED (GB) 2022-06-07 US disclosed
US-20200331888-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DUB INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2020-10-22 US disclosed
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
US-20160152582-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-06-02 US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-9096586-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-08-04 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 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 (7 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-11352339-B2 1-cyano-pyrrolidine derivatives as DUB inhibitors USP30, USP28, USP1 CLK4 1843/4885GRM5 3971/4885CYP1A2 537/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 CLK4 4532/4885GRM5 3572/4885CYP1A2 2022/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CLK4 4692/4885GRM5 2594/4885CYP1A2 807/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CLK4 4692/4885GRM5 2594/4885CYP1A2 807/4885
US-20220177451-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DUB INHIBITORS USP30, USP28, USP1 CLK4 1843/4885GRM5 3971/4885CYP1A2 537/4885
US-20200331888-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DUB INHIBITORS USP30, USP28, USP1 CLK4 1843/4885GRM5 3971/4885CYP1A2 537/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 CLK4 4532/4885GRM5 3572/4885CYP1A2 2022/4885

“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.