SCHEMBL15345149

SCHEMBL15345149

Cc1ccnc(-c2ccc3c(cnn3C3CC3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.44
CYP2A6 P11509 1/20 0.41
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
EGFR P00533 2/20 0.40
SCD O00767 1/20 0.39
SYK P43405 1/20 0.39
KDM1A O60341 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
AXL P30530 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
NR3C1 P04150 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
SCHEMBL15345044 0.89 CYP2A6 (0.39) GPR119CYP2A6CCR1CCR5CCR8
SCHEMBL15345070 0.89 CYP2A6 (0.39) GPR119CYP2A6CCR1CCR5CCR8
SCHEMBL15341722 0.85 GPR119 (0.42) GPR119SCDSYKIRAK4
SCHEMBL13432159 0.81 POLB (0.45) GPR119SCDSYKKDM1A
SCHEMBL15344156 0.79 CCR1 (0.47) CYP2A6CCR1CCR5CCR8SYK
SCHEMBL15345074 0.77 MET (0.45) CYP2A6CCR1CCR5CCR8SYK
SCHEMBL15345153 0.76 CCR1 (0.43) CYP2A6CCR1CCR5CCR8SYK
SCHEMBL15345150 0.76 CCR1 (0.43) CYP2A6CCR1CCR5CCR8SYK
SCHEMBL15341883 0.75 GPR119 (0.36) GPR119EGFRIRAK4
SCHEMBL20132706 0.75 PIM1 (0.38) GPR119SYKIRAK4

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 4 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-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 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 (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-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 GPR119 438/4885CYP2A6 855/4885CCR1 106/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 GPR119 438/4885CYP2A6 855/4885CCR1 106/4885

“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.