SCHEMBL5659034

SCHEMBL5659034

Cn1nnc(CSc2ccc(N)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 3/20 0.35
GAA P10253 2/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
MAPT P10636 2/20 0.33
POLB P06746 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK1 P28482 2/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL5656124 0.81 SMN1; SMN2 (0.54) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL4825854 0.75 CYP3A4 (0.45) KMT2AALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL5657382 0.71 ALDH1A1 (0.40) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL5655615 0.69 SMN1; SMN2 (0.50) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL5656658 0.69 ALDH1A1 (0.41) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL5656448 0.67 RAB9A (0.39) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL1303893 0.67
SCHEMBL5654634 0.66 ALDH1A1 (0.40) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL5655390 0.66 KMT2A (0.41) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL1674237 0.65 SMN1; SMN2 (0.62) NPC1RAB9AKMT2AALDH1A1MEN1

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 NPC1 2059/4885RAB9A 2546/4885KMT2A 391/4885

“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.