SCHEMBL10169307

SCHEMBL10169307

CNc1nc(-c2ccc(Cl)cc2)ccc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAPT P10636 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CASP1 P29466 1/20 0.49
MAP4K4 O95819 2/20 0.47
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
PARP1 P09874 3/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAP2K3 P46734 1/20 0.43
MAPK14 Q16539 1/20 0.43
GPR52 Q9Y2T5 1/20 0.41

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
SCHEMBL479548 0.79 ALDH1A1 (0.46) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL10169399 0.72 NPSR1 (0.45) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL22993612 0.71 NNMT (0.41) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL19220975 0.71 SMN1; SMN2 (0.55) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL18019282 0.71 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1463744 0.69 MAP2K3 (0.71) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL4412318 0.69 SMN1; SMN2 (0.76) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL29419188 0.69 SMN1; SMN2 (1.00) NPC1RAB9AMAPTNFKB1NFKB2
SCHEMBL13258888 0.68 CHEK1 (0.73) NPC1RAB9AMAPTMAP4K4KMT2A
SCHEMBL899974 0.68 ABCG2 (0.44) NPC1RAB9AMAPTNFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT NPC1 1778/4885RAB9A 1841/4885MAPT 3529/4885

“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.