SCHEMBL15344157

SCHEMBL15344157

Cc1ccnc(-c2ccc3[nH]ncc3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.57
ROCK2 O75116 8/20 0.57
PIM1 P11309 6/20 0.57
AURKB Q96GD4 6/20 0.57
JAK2 O60674 1/20 0.55
PAK4 O96013 1/20 0.55
KDR P35968 1/20 0.55
CLK1 P49759 3/20 0.54
DYRK1A Q13627 5/20 0.53
CDK2 P24941 4/20 0.53
CLK2 P49760 4/20 0.53
CLK4 Q9HAZ1 4/20 0.53
CDC7 O00311 4/20 0.53
CDK1 P06493 3/20 0.53
RPS6KB1 P23443 3/20 0.53
GSK3A P49840 3/20 0.53
ROCK1 Q13464 3/20 0.53
SGK2 Q9HBY8 3/20 0.53
CDK5 Q00535 3/20 0.53
PRKACA P17612 2/20 0.53

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
SCHEMBL15340899 0.81 TRPA1 (0.52) GSK3BROCK2PIM1AURKBJAK2
SCHEMBL15345023 0.79 TRPA1 (0.48) GSK3BROCK2PIM1AURKBDYRK1A
SCHEMBL3799521 0.78 CLK1 (0.61) GSK3BROCK2PIM1AURKBJAK2
SCHEMBL30805622 0.78 GSK3B (0.63) GSK3BROCK2PIM1AURKBJAK2
SCHEMBL27989422 0.78 ROCK2 (0.52) GSK3BROCK2PIM1AURKBJAK2
SCHEMBL15344998 0.78 TRPA1 (0.48) GSK3BROCK2PIM1DYRK1ACDK2
SCHEMBL26619294 0.77 KMO (0.55) GSK3BROCK2PIM1AURKBJAK2
SCHEMBL16573980 0.77 GSK3B (0.71) GSK3BROCK2PIM1AURKBJAK2
SCHEMBL13680578 0.76 GSK3B (0.70) GSK3BROCK2PIM1AURKBJAK2
SCHEMBL29409358 0.76 ROCK2 (0.59) GSK3BROCK2PIM1AURKBJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (4 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-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 GSK3B 3128/4885ROCK2 1658/4885PIM1 1422/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 GSK3B 1719/4885ROCK2 1591/4885PIM1 1335/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 GSK3B 1719/4885ROCK2 1591/4885PIM1 1335/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 GSK3B 3128/4885ROCK2 1658/4885PIM1 1422/4885

“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.