SCHEMBL5654637

SCHEMBL5654637

Cc1ncccc1CSc1ccc(N)cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.40
SLC1A2 P43004 1/20 0.40
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
APOBEC3A P31941 1/20 0.36
HTT P42858 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CXCR2 P25025 2/20 0.35
TKT P29401 2/20 0.34
DCPS Q96C86 1/20 0.34
NPSR1 Q6W5P4 1/20 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
SCHEMBL5655315 0.80 NPC1 (0.40) CYP1A2CYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL5656392 0.78 ALDH1A1 (0.57) L3MBTL1ALDH1A1KMT2AAPOBEC3AHTT
SCHEMBL5657397 0.74 NPC1 (0.54) L3MBTL1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL5659002 0.73 RAB9A (0.53) CYP1A2CYP2D6KMT2AHTT
SCHEMBL5320880 0.72 L3MBTL1 (0.51) L3MBTL1CYP1A2ALDH1A1KMT2AHTT
SCHEMBL5648662 0.71 L3MBTL1 (0.48) L3MBTL1KMT2AHTTPOLBCXCR2
SCHEMBL3510272 0.70 P2RX7 (0.38) L3MBTL1CYP1A2CYP2C19ALDH1A1KMT2A
SCHEMBL11455286 0.70 TAAR1 (0.52) DCPS
SCHEMBL1492564 0.70 PIK3CD (0.47) ALDH1A1KMT2APOLB
SCHEMBL23634053 0.69 CA12 (0.42) L3MBTL1ALDH1A1KMT2A

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 L3MBTL1 2184/4885SLC1A2 1318/4885CYP1A2 6/4885

“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.