SCHEMBL5384464

SCHEMBL5384464

Nc1nccc(-c2c(-c3ccc(F)cc3)nn3ccccc23)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.60
GSK3B P49841 3/20 0.60
EGFR P00533 2/20 0.60
RAF1 P04049 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
ADORA2A P29274 1/20 0.60
ADORA2B P29275 1/20 0.60
ADORA1 P30542 1/20 0.60
CSNK1E P49674 3/20 0.48
CCNT1 O60563 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CDK9 P50750 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
HASPIN Q8TF76 1/20 0.48
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPK13 O15264 1/20 0.43
CSNK1D P48730 1/20 0.43

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
SCHEMBL8810385 0.90 ADORA2A (0.53) MAPK14GSK3BEGFRRAF1ADORA3
SCHEMBL5799690 0.83 MAPK14 (0.57) MAPK14GSK3BEGFRRAF1ADORA3
SCHEMBL5389738 0.81 MAPK14 (0.72) MAPK14GSK3BEGFRRAF1ADORA3
SCHEMBL3278407 0.81 ADCY10 (0.41) MAPK14GSK3BEGFRRAF1ADORA3
SCHEMBL14593063 0.81 GSK3B (0.55) MAPK14GSK3BEGFRRAF1ADORA3
SCHEMBL14593062 0.81 GSK3B (0.55) MAPK14GSK3BEGFRRAF1ADORA3
SCHEMBL6983941 0.81 ADCY10 (0.48) MAPK14GSK3BEGFRRAF1ADORA3
SCHEMBL14627004 0.80 MAPK14 (0.54) MAPK14GSK3BEGFRRAF1ADORA3
SCHEMBL5761865 0.80 MAPK9 (0.62) MAPK14GSK3BEGFRRAF1ADORA3
Gw568326X SCHEMBL5391204 0.80 MAPK14 (0.64) MAPK14GSK3BEGFRCSNK1ECCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166597-B2 Fused pyrazole derivatives being protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-01-23 US disclosed
US-7166597-B2 Fused pyrazole derivatives being protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-01-23 US disclosed
US-7166597-B2 Fused pyrazole derivatives being protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-01-23 US disclosed
EP-1311507-B1 FUSED PYRAZOLE DERIVATIVES BEING PROTEIN KINASE INHIBITORS GLAXO GROUP LTD (GB) 2006-03-01 EP disclosed
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
US-20040053942-A1 Fused pyrazole derivatives bieng protein kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-03-18 US disclosed
EP-1311507-A1 FUSED PYRAZOLE DERIVATIVES BEING PROTEIN KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-05-21 EP disclosed
WO-2002016359-A1 FUSED PYRAZOLE DERIVATIVES BEING PROTEIN KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-02-28 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 (2 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-20040053942-A1 Fused pyrazole derivatives bieng protein kinase inhibitors RAF1, SBK3, MAP3K3 MAPK14 77/4885GSK3B 326/4885EGFR 786/4885
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds QDPR, DPYD, ENTPD5 MAPK14 1551/4885GSK3B 3047/4885EGFR 4605/4885

“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.