SCHEMBL5658100

SCHEMBL5658100

Cc1cn2c(Sc3ccc(N)cc3)cccc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.36
KDM1A O60341 1/20 0.36
DHFR P00374 2/20 0.35
MAPT P10636 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
APP P05067 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
ANXA2 P07355 1/20 0.32
S100A10 P60903 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADORA1 P30542 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
SCHEMBL5657480 0.73 CDK8 (0.41) CYP3A4TSHRMAPK1KDM1ADHFR
SCHEMBL8373773 0.72 ALDH1A1 (0.40) HTTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL9002014 0.72 CYP1A2 (0.35) CYP3A4MAPK1HTTMAPTNPC1
SCHEMBL3448499 0.69 PDE10A (0.41) HTTMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL542463 0.69 NPC1 (0.37) TSHRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7947747 0.68 GAA (0.50) HTTMAPTNPC1RAB9ASMN1; SMN2
Bromide SCHEMBL7844571 0.67 PDE10A (0.40) HTTMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7835501 0.66 SMN1; SMN2 (0.35) CYP3A4MAPK1HTTMAPTNPC1
SCHEMBL8811947 0.65 KMT2A (0.39) MAPK1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL7845934 0.65 NPSR1 (0.36) MAPK1HTTMAPTNPC1RAB9A

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 CYP3A4 10/4885TSHR 2872/4885MAPK1 1752/4885

“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.