SCHEMBL5657892

SCHEMBL5657892

CCCn1cncc1CSc1nc2ccc(N)cc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 12/20 0.49
CYP2C8 P10632 12/20 0.49
CYP2D6 P10635 12/20 0.49
CYP2C9 P11712 12/20 0.49
CYP2B6 P20813 12/20 0.49
CYP2C19 P33261 12/20 0.49
CYP1A2 P05177 11/20 0.49
CYP3A4 P08684 11/20 0.49
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
BRS3 P32247 1/20 0.38
KLK7 P49862 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL5657883 0.91 CYP1A2 (0.39) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL5654308 0.83 MAPT (0.53) CYP2D6CYP2C9CYP2C19CYP1A2PRMT5
SCHEMBL5657882 0.80 POLB (0.39) CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL5654306 0.76 HTT (0.46) CYP2D6CYP2C9CYP2C19CYP1A2HTT
SCHEMBL5657589 0.76 POLB (0.39) CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL6526804 0.75 MEN1 (0.36) CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL3458773 0.75 ALDH1A1 (0.30)
SCHEMBL5656048 0.72 CYP1A2 (0.32) CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL22534195 0.69 CYP1A2 (0.30) CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL21558283 0.68 TLR8 (0.37) MAPTNPC1RAB9A

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-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 EP 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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 CYP2E1 3/4885CYP2C8 63/4885CYP2D6 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.