SCHEMBL4580648

SCHEMBL4580648

CSc1ccc(-c2ccc(C#N)c(NC3CCC(O)CC3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 9/20 0.43
HSP90AA1 P07900 1/20 0.41
PRKCD Q05655 8/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
TBK1 Q9UHD2 4/20 0.35
CHUK O15111 1/20 0.35
FABP5 Q01469 2/20 0.34
FABP7 O15540 1/20 0.34
FABP3 P05413 1/20 0.34
SGK1 O00141 1/20 0.34

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
SCHEMBL4580882 0.84 HSP90AA1 (0.46) PRKCQHSP90AA1PRKCDTBK1CHUK
SCHEMBL4580711 0.82 HSP90AA1 (0.45) PRKCQHSP90AA1PRKCDCYP11B1CYP11B2
SCHEMBL4581754 0.81 PRKCQ (0.43) PRKCQHSP90AA1PRKCDTBK1CHUK
SCHEMBL14252710 0.81 PRKCQ (0.43) PRKCQHSP90AA1PRKCDTBK1CHUK
SCHEMBL4582583 0.80 PRKCQ (0.44) PRKCQHSP90AA1PRKCDCYP11B1CYP11B2
SCHEMBL4579980 0.80 KDM4E (0.48) PRKCQHSP90AA1PRKCDTBK1
SCHEMBL4579571 0.79 KMT2A (0.45) PRKCQHSP90AA1PRKCD
SCHEMBL4579724 0.79 PGR (0.50) PRKCQHSP90AA1PRKCD
SCHEMBL4581544 0.78 PRKCQ (0.42) PRKCQHSP90AA1PRKCDTBK1
SCHEMBL14252159 0.78 PRKCQ (0.48) PRKCQHSP90AA1PRKCDCHUK

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
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO 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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives RB1, MKI67, CCNB1 PRKCQ 4430/4885HSP90AA1 3426/4885PRKCD 4800/4885

“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.