SCHEMBL19367485

SCHEMBL19367485

Cc1cc(-c2cc(N)[nH]n2)cc(Br)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.44
ADORA1 P30542 3/20 0.44
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
AURKA O14965 1/20 0.33
PDPK1 O15530 1/20 0.33
TGFBR1 P36897 1/20 0.33
ROCK1 Q13464 1/20 0.33
AURKB Q96GD4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.31
GFER P55789 1/20 0.31
ADORA2B P29275 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
SCHEMBL17608163 0.81 AURKA (0.38) NPC1RAB9ASMN1; SMN2AURKAPDPK1
SCHEMBL4852024 0.74 NOTUM (0.39) ADORA2AADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL30129593 0.71 MAP4K4 (0.46)
SCHEMBL22191645 0.71 MAP4K4 (0.46)
SCHEMBL11231763 0.71 PDE3B (0.46) ADORA2AADORA1NPC1AURKAPDPK1
SCHEMBL19367479 0.70 CRHBP (0.55) ADORA2AADORA1SMN1; SMN2PDPK1MAPT
SCHEMBL1143098 0.69 SMN1; SMN2 (0.61) ADORA2AADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL1143959 0.69 ALPL (0.54) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL19367478 0.69 NPC1 (0.37) NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL23407772 0.68 RAB9A (0.41) NPC1RAB9ASMN1; SMN2MAPT

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 ADORA2A 3344/4885ADORA1 3325/4885NPC1 3346/4885

“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.