SCHEMBL5657194

SCHEMBL5657194

CC(=O)OCCn1ccnc1CSc1ccc(N)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.36
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 1/20 0.32
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FPR2 P25090 1/20 0.30
SLC18A3 Q16572 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
SCHEMBL5657420 0.93 CCNE1 (0.38) KMT2AALDH1A1MEN1GAACCNE1
SCHEMBL5657944 0.84 NPC1 (0.43) KMT2AALDH1A1MEN1GAANPC1
SCHEMBL3460377 0.80 TNF (0.48)
SCHEMBL5653814 0.80 TLR8 (0.39) ADORA2BKMT2AALDH1A1MEN1GAA
SCHEMBL5654563 0.78 NPC1 (0.33) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL5657417 0.78 ESR1 (0.38) KMT2AALDH1A1MEN1GAASMN1; SMN2
SCHEMBL5657825 0.77 ALDH1A1 (0.38) ADORA2BKMT2AALDH1A1MEN1GAA
SCHEMBL5657489 0.77 ADORA2B (0.36) ADORA2BKMT2AALDH1A1MEN1GAA
SCHEMBL13587955 0.76 ALPG (0.44) ADORA2BALDH1A1CCNE1CDK2FPR2
SCHEMBL5657192 0.74 FPR2 (0.32) KMT2AALDH1A1MEN1GAANPC1

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 ADORA2B 474/4885KMT2A 391/4885ALDH1A1 519/4885

“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.