SCHEMBL5657910

SCHEMBL5657910

CCCn1cncc1CSc1ccc(N)nn1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
DRD2 P14416 2/20 0.30
DRD3 P35462 2/20 0.30
DRD4 P21917 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL5656048 0.82 CYP1A2 (0.32) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6526804 0.77 MEN1 (0.36) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22534195 0.74 CYP1A2 (0.30) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5657272 0.73 ALDH1A1 (0.44)
SCHEMBL3458773 0.72 ALDH1A1 (0.30)
SCHEMBL5658083 0.71 CYP2C19 (0.32) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21558283 0.69 TLR8 (0.37)
SCHEMBL5657882 0.69 POLB (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5657589 0.69 POLB (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21558721 0.68 KCNH2 (0.34)

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 ALOX5AP 2350/4885FEN1 4128/4885DRD2 21/4885

“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.