SCHEMBL3023258

SCHEMBL3023258

Nc1ccc(N)c(-c2ccnn3ccnc23)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.40
BMP4 P12644 1/20 0.35
JAK1 P23458 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
PIM1 P11309 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NUDT1 P36639 1/20 0.31
AXL P30530 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
SCHEMBL14699684 0.74 SMPD3 (0.57) SMPD3BMP4PIM1NUDT1AXL
SCHEMBL1202802 0.69 CDK2 (0.45) BMP4JAK1PIK3C3
SCHEMBL3338155 0.69 CASP1 (0.46) ALDH1A1SMN1; SMN2TP53MAPTTSHR
SCHEMBL19305220 0.68 ADORA2A (0.44) SMPD3BMP4JAK1PIK3C3PIM1
SCHEMBL2591802 0.67 CYP17A1 (0.52) BMP4JAK1PIK3C3
SCHEMBL7086205 0.66 KDM1A (0.49) ALDH1A1SMN1; SMN2KDM4ETP53HSP90AA1
SCHEMBL30792364 0.66 KDM1A (0.49) ALDH1A1SMN1; SMN2KDM4ETP53HSP90AA1
SCHEMBL7086361 0.66 MAP4K4 (0.58) ALDH1A1SMN1; SMN2KDM4ETP53HSP90AA1
SCHEMBL4930253 0.66 HSD17B10 (0.41) BMP4ALDH1A1KDM4EMAPTCASP1
SCHEMBL15473570 0.66 CYP17A1 (0.46) BMP4ALDH1A1SMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 EP disclosed
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 US disclosed
US-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 US disclosed
EP-1928879-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS Brystol-Myers Squibb Company (US) 2008-06-11 EP disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 WO disclosed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 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 (3 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-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators MAP3K2, MAP3K3, MAP4K2 SMPD3 3148/4885BMP4 2645/4885JAK1 165/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 SMPD3 3890/4885BMP4 2913/4885JAK1 248/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 SMPD3 3191/4885BMP4 2729/4885JAK1 280/4885

“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.