SCHEMBL4581857

SCHEMBL4581857

COc1cc2ccn(-c3ccc(C#N)cc3Cl)c2cc1OC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 4/20 0.39
BRD1 O95696 3/20 0.39
BRPF3 Q9ULD4 3/20 0.39
BRD9 Q9H8M2 2/20 0.39
HTR6 P50406 2/20 0.39
AR P10275 3/20 0.37
BRD4 O60885 1/20 0.37
SLC6A4 P31645 1/20 0.37
CDC7 O00311 8/20 0.36
CDK2 P24941 4/20 0.36
LRRK2 Q5S007 1/20 0.36
MAP3K14 Q99558 1/20 0.36
ESRRA P11474 1/20 0.35

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
SCHEMBL4580723 0.84 ROCK1 (0.43) HTR6CDC7
SCHEMBL14291379 0.80 NR4A1 (0.40)
SCHEMBL4581465 0.79 ICMT (0.41) BRPF1BRD1BRPF3BRD9HTR6
SCHEMBL4580931 0.77 ENPP3 (0.45) ARCDC7CDK2MAP3K14
SCHEMBL27400816 0.74 ENPP3 (0.48) BRPF1BRD1BRPF3BRD9HTR6
SCHEMBL20604726 0.73 FFAR4 (0.44) HTR6ARCDC7CDK2
SCHEMBL29687043 0.70 AR (0.58) ARSLC6A4ESRRA
SCHEMBL524339 0.70 AR (0.58) ARSLC6A4ESRRA
SCHEMBL13535540 0.68 PIP4K2A (0.40) ARCDC7
SCHEMBL524184 0.67 AR (0.51) ARSLC6A4LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US claimed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO claimed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 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 (1 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-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 BRPF1 115/4885BRD1 51/4885BRPF3 30/4885

“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.