SCHEMBL5654722

SCHEMBL5654722

Cn1ccnc1Sc1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.46
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3531433 0.81 GCK (0.52) GCKKMT2ALMNANPSR1ALDH1A1
SCHEMBL11734656 0.81 GCK (0.52) GCKKMT2ALMNANPSR1ALDH1A1
SCHEMBL5655743 0.80 KDM4E (0.47) TSHRKMT2AALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL10395304 0.77 NPC1 (0.44) GCKKMT2ALMNANPSR1ALDH1A1
SCHEMBL5654395 0.76 ALDH1A1 (0.59) GCKMAPK1KMT2ALMNAALDH1A1
SCHEMBL723701 0.74 KMT2A (0.49) GCKTSHRKMT2ALMNANPSR1
SCHEMBL4029532 0.74 GCK (0.54) GCKKMT2ALMNAALDH1A1
SCHEMBL2668152 0.74 GCK (0.44) GCKCYP3A4KMT2ALMNAALDH1A1
SCHEMBL11730615 0.73 LMNA (0.59) GCKTSHRCYP3A4KMT2ALMNA
SCHEMBL10395347 0.72 GCK (0.45) GCKKMT2ALMNANPSR1ALDH1A1

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 GCK 2951/4885TSHR 2872/4885CYP3A4 10/4885

“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.