SCHEMBL4414573

SCHEMBL4414573

Nc1ccc(C(=O)c2cccs2)c(N)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 4/20 0.50
ALOX15 P16050 3/20 0.50
LMNA P02545 3/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 3/20 0.50
HTT P42858 1/20 0.50
PSMD14 O00487 1/20 0.50
MMP2 P08253 1/20 0.50
NPC1 O15118 5/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 3/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 2/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
NFKB1 P19838 1/20 0.47
CASP1 P29466 1/20 0.47

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
SCHEMBL29152812 0.79 ALOX15 (0.49) ALDH1A1MAPTALOX15LMNAHPGD
SCHEMBL4264795 0.77 NAPRT (0.54) ALDH1A1MAPTALOX15LMNAHPGD
SCHEMBL523863 0.73 MAPT (0.49) ALDH1A1MAPTALOX15LMNAHPGD
SCHEMBL9148337 0.73 LMNA (0.85) ALDH1A1MAPTALOX15LMNAHPGD
SCHEMBL1424601 0.73 ALOX15 (0.66) ALDH1A1MAPTALOX15LMNAHPGD
SCHEMBL4419093 0.73 MAPT (0.53) ALDH1A1MAPTLMNAHSD17B10KMT2A
SCHEMBL31061107 0.73 MAPT (0.53) ALDH1A1MAPTLMNAHSD17B10KMT2A
SCHEMBL27774649 0.72 IDO1 (0.56) ALDH1A1MAPTALOX15LMNAHPGD
SCHEMBL182010 0.72 CES2 (0.71) ALDH1A1ALOX15LMNAHPGDHSD17B10
SCHEMBL4422728 0.71 ALDH1A1 (0.51) ALDH1A1MAPTLMNAHSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689394-A4 AMINO SUBSTITUTED PYRIDINYL METHANONE COMPOUNDS USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2009-06-03 EP disclosed
US-7109220-B2 Amino substituted pyridinyl methanone compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-19 US disclosed
EP-1689394-A1 AMINO SUBSTITUTED PYRIDINYL METHANONE COMPOUNDS USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-16 EP disclosed
US-20050124610-A1 Amino substituted pyridinyl methanone compounds useful in treating kinase disorders JANSSEN PHARMACEUTICA N. V. (BE) 2005-06-09 US disclosed
WO-2005051387-A1 AMINO SUBSTITUTED PYRIDINYL METHANONE COMPOUNDS USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-09 WO 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-20050124610-A1 Amino substituted pyridinyl methanone compounds useful in treating kinase disorders CDK6, CDK1, CDK3 ALDH1A1 2979/4885MAPT 2602/4885ALOX15 2735/4885

“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.