SCHEMBL5657607

SCHEMBL5657607

Cn1ccnc1CSc1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
NPC1 O15118 6/20 0.40
RAB9A P51151 5/20 0.40
ALDH1A1 P00352 3/20 0.40
FDPS P14324 1/20 0.39
MAPT P10636 1/20 0.38
IDO1 P14902 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
GAA P10253 2/20 0.35
TP53 P04637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL5653814 0.82 TLR8 (0.39) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL5657825 0.81 ALDH1A1 (0.38) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL7448685 0.81 SMN1; SMN2 (0.40) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL5655684 0.80 NPC1 (0.37) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL5656288 0.78 KMT2A (0.37) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL5655743 0.76 KDM4E (0.47) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL5654563 0.75 NPC1 (0.33) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL5657194 0.74 ADORA2B (0.36) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL5654722 0.71 GCK (0.46) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL5657192 0.71 FPR2 (0.32) KMT2AMEN1NPC1RAB9AALDH1A1

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 KMT2A 391/4885MEN1 729/4885NPC1 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.