SCHEMBL19367478

SCHEMBL19367478

Cc1ncc(-c2cc(N)[nH]n2)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.32
ALK Q9UM73 1/20 0.31
HPGDS O60760 1/20 0.30
ALOX5AP P20292 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
SCHEMBL19367483 0.83 PRMT5 (0.41) NPC1RAB9ASMN1; SMN2L3MBTL1ALK
SCHEMBL17608486 0.80 MAPT (0.38) NPC1RAB9ASMN1; SMN2ALOX5AP
SCHEMBL1856249 0.73 PRMT5 (0.45) NPC1RAB9ASMN1; SMN2L3MBTL1ALK
SCHEMBL17608573 0.72 MAPT (0.39) NPC1RAB9AALK
SCHEMBL14910773 0.71 CYP11B2 (0.42) NPC1RAB9AL3MBTL1ALK
SCHEMBL4852024 0.70 NOTUM (0.39) NPC1RAB9ASMN1; SMN2L3MBTL1ALK
SCHEMBL19367485 0.69 ADORA2A (0.44) NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL2436804 0.69 JAK3 (0.31)
SCHEMBL14911037 0.69 HDAC3 (0.52) NPC1RAB9ASMN1; SMN2
SCHEMBL1143959 0.68 ALPL (0.54) NPC1RAB9ASMN1; SMN2L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267656-A1 PYRAZOLYL-SUBSTITUTED PYRIDONE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2017-09-21 US 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-20170267656-A1 PYRAZOLYL-SUBSTITUTED PYRIDONE COMPOUNDS AS SERINE PROTEASE INHIBITORS SERPINE1, PRSS1, SPINT2 NPC1 3346/4885RAB9A 2143/4885SMN1; SMN2 2723/4885

“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.