SCHEMBL4580723

SCHEMBL4580723

COc1ccc2c(ccn2-c2ccc(C#N)cc2Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.43
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
CDC7 O00311 1/20 0.40
CYP19A1 P11511 1/20 0.39
HTR2C P28335 1/20 0.39
ENPP3 O14638 1/20 0.38
SNCA P37840 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
HPGDS O60760 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR6 P50406 3/20 0.36
POLB P06746 1/20 0.36
NQO1 P15559 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 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
SCHEMBL4581857 0.84 BRPF1 (0.39) CDC7HTR6
SCHEMBL14291380 0.81 ROCK1 (0.51) ROCK1PDGFRBPDGFRAHTR2CSNCA
SCHEMBL4580931 0.79 ENPP3 (0.45) CDC7CYP19A1ENPP3KDM4EALDH1A1
SCHEMBL31116815 0.79 ROCK1 (0.51) ROCK1PDGFRBPDGFRAHTR2CL3MBTL1
SCHEMBL20837932 0.78 L3MBTL1 (0.46) ROCK1CDC7ENPP3L3MBTL1KDM4E
SCHEMBL20604693 0.78 KDM1A (0.48) ROCK1PDGFRBPDGFRACDC7CYP19A1
SCHEMBL10637458 0.77 EGFR (0.46) ROCK1PDGFRBPDGFRACDC7HTR2C
SCHEMBL4581753 0.76 ROCK2 (0.50) ROCK1HTR2CL3MBTL1HPGDSKDM4E
SCHEMBL7555058 0.75 ROCK1 (0.45) ROCK1PDGFRBPDGFRAHTR2CL3MBTL1
SCHEMBL27400816 0.73 ENPP3 (0.48) CDC7ENPP3HPGDSKDM4EALDH1A1

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 ROCK1 1261/4885PDGFRB 149/4885PDGFRA 311/4885

“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.