SCHEMBL5655359

SCHEMBL5655359

Cc1ccc2ncc(CSc3ccc(N)cc3)n2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
KDM4E B2RXH2 3/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
POLB P06746 2/20 0.36
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
APP P05067 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
HTT P42858 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
SCHEMBL5655890 0.78 GGPS1 (0.46) NPC1RAB9AGAAALDH1A1NPSR1
SCHEMBL9116835 0.75 CYP1A2 (0.46) CYP1A2CYP2C9KDM4EGLAGAA
SCHEMBL21083369 0.75 TGFBR1 (0.51) CYP1A2CYP2C9KDM4EGLAGAA
SCHEMBL5654368 0.73 RAB9A (0.40) NPC1RAB9AGAAALDH1A1NPSR1
SCHEMBL22300408 0.73 CYP1A2 (0.50) CYP1A2CYP2C9KDM4EGLAGAA
SCHEMBL5657000 0.71 CYP1A2 (0.49) CYP1A2CYP2C9KDM4EGLAGAA
SCHEMBL859367 0.71 KDM4E (0.42) CYP1A2CYP2C9NPC1RAB9AKDM4E
SCHEMBL21083341 0.69 CYP1A2 (0.53) CYP1A2CYP2C9NPC1RAB9AKDM4E
SCHEMBL17815897 0.69 POLB (0.69) CYP1A2CYP2C9KDM4EGLAGAA
SCHEMBL20125088 0.68 CYP1A2 (0.49) CYP1A2CYP2C9NPC1RAB9AKDM4E

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 6/4885CYP2C9 28/4885NPC1 2059/4885

“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.