SCHEMBL4580931

SCHEMBL4580931

N#Cc1ccc(-n2ccc3ccccc32)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.45
BIRC5 O15392 1/20 0.44
CDC7 O00311 8/20 0.43
CDK2 P24941 4/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
MAP3K14 Q99558 1/20 0.39
AR P10275 2/20 0.38

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 0.79 ROCK1 (0.43) ENPP3CDC7POLBSMN1; SMN2KDM4E
SCHEMBL31116766 0.77 BIRC5 (0.47) BIRC5CDC7CDK2TP53MAPT
SCHEMBL4581857 0.77 BRPF1 (0.39) CDC7CDK2MAP3K14AR
SCHEMBL5661104 0.76 BIRC5 (0.56) BIRC5CDC7CDK2MAPTALDH1A1
SCHEMBL31116722 0.76 BIRC5 (0.56) BIRC5CDC7CDK2MAPTALDH1A1
SCHEMBL5610137 0.74 CYP19A1 (0.62) ENPP3BIRC5CDC7CDK2TSHR
SCHEMBL6298226 0.74 CDC7 (0.48) ENPP3BIRC5CDC7CDK2CYP19A1
SCHEMBL31460372 0.73 ENPP3 (0.51) ENPP3CDC7CDK2TSHRCA1
SCHEMBL4580698 0.72 ROCK2 (0.54) BIRC5LMNATSHRRAB9APRKD3
SCHEMBL4791718 0.71 RORC (0.49) LMNAPOLBMAPTRAB9ASMN1; SMN2

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 6 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
US-20070185184-A1 Carbazole derivatives SERENEX, INC. 2007-08-09 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-20070185184-A1 Carbazole derivatives CCNI, MKI67, CCNB3 ENPP3 3144/4885BIRC5 1447/4885CDC7 62/4885
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 ENPP3 2246/4885BIRC5 525/4885CDC7 2174/4885

“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.