SCHEMBL15344977

SCHEMBL15344977

Cc1ccnc(-c2ccc3c(ccc(=O)n3C)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 10/20 0.49
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 1/20 0.44
CYP2A6 P11509 1/20 0.44
BRD4 O60885 3/20 0.42
BRD9 Q9H8M2 3/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
KAT2B Q92831 1/20 0.42
BCL6 P41182 1/20 0.42
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
BRD1 O95696 3/20 0.39
BRPF3 Q9ULD4 1/20 0.39
ROCK1 Q13464 1/20 0.38
MAPK1 P28482 1/20 0.37
DYRK1A Q13627 1/20 0.36
KCNA5 P22460 1/20 0.36
CNR1 P21554 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
SCHEMBL15345113 0.90 CCR1 (0.46) BRPF1CCR1CCR5CCR8CYP2A6
SCHEMBL15341747 0.84 BRPF1 (0.44) BRPF1BRD4BRD9CA12CA9
SCHEMBL16573984 0.79 BRPF1 (0.57) BRPF1BRD4BRD9CA12CA9
SCHEMBL422084 0.78 BRPF1 (0.65) BRPF1CYP2A6BRD4BRD9CA12
SCHEMBL15345057 0.78 MAPK14 (0.54) BRPF1CCR1CCR5CCR8CYP2A6
SCHEMBL15344980 0.74 MAPT (0.52) CCR1CCR5CCR8CYP2A6MAPT
SCHEMBL15341936 0.74 BRPF1 (0.40) BRPF1BRD4BRD9CA12CA9
SCHEMBL15344156 0.74 CCR1 (0.47) CCR1CCR5CCR8CYP2A6SYK
SCHEMBL16805027 0.73 CCR1 (0.55) CCR1CCR5CCR8CYP2A6MAPT
SCHEMBL15345112 0.72 CA12 (0.49) CCR1CCR5CCR8CYP2A6CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BRPF1 3754/4885CCR1 106/4885CCR5 3/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 BRPF1 3754/4885CCR1 106/4885CCR5 3/4885

“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.