SCHEMBL5657883

SCHEMBL5657883

CCCn1cncc1CSc1nc2cc(N)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP2E1 P05181 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C8 P10632 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2B6 P20813 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPKAPK2 P49137 1/20 0.35
RPS6KA3 P51812 1/20 0.35
CSNK2A1 P68400 1/20 0.35
PLK3 Q9H4B4 1/20 0.35
RAB9A P51151 7/20 0.35
NPC1 O15118 6/20 0.35
MAPT P10636 4/20 0.34
PKM P14618 3/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 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
SCHEMBL5657892 0.91 CYP2E1 (0.49) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL5654306 0.83 HTT (0.46) CYP1A2CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL5657882 0.78 POLB (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5657589 0.78 POLB (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5654308 0.76 MAPT (0.53) CYP1A2CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL6526804 0.75 MEN1 (0.36) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3458773 0.75 ALDH1A1 (0.30) ALDH1A1
SCHEMBL11805900 0.74 CYP1A2 (0.55) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL5656048 0.72 CYP1A2 (0.32) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8349434 0.70 RAB9A (0.51) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6

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 CYP1A2 6/4885CYP2E1 3/4885CYP3A4 10/4885

“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.