SCHEMBL5260743

SCHEMBL5260743

O=c1nc(-c2c[nH]nc2-c2ccc(F)cc2)cc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.41
MAPK1 P28482 1/20 0.38
DYRK1A Q13627 1/20 0.36
MAPK14 Q16539 7/20 0.36
EGFR P00533 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM2 Q14416 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CDC7 O00311 2/20 0.34
PIM1 P11309 2/20 0.34
GSK3B P49841 2/20 0.34
HIPK2 Q9H2X6 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
GCGR P47871 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
MAOB P27338 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL4096565 0.76 MAPK14 (0.47) PDGFRBMAPK14ALDH1A1SMN1; SMN2GCGR
SCHEMBL5258644 0.73 MAPT (0.41) PDGFRBMAPK14EGFRMEN1KMT2A
SCHEMBL1645470 0.72 CCNT1 (0.53) MAPK1DYRK1AMAPK14EGFRPIM1
SCHEMBL5260080 0.72 MAPK14 (0.49) DYRK1AMAPK14GSK3BMAPK11MAPK13
SCHEMBL5256677 0.71 MAPK14 (0.52) MAPK14SMN1; SMN2CDC7MAPK11MAPK13
SCHEMBL5256181 0.71 MAPK14 (0.41) MAPK14MEN1KMT2AGSK3BMAPK11
SCHEMBL7856946 0.71 TGFBR1 (0.51) MAPK1MAPK14MEN1KMT2AALDH1A1
SCHEMBL28329372 0.71 ADORA1 (0.49) MAPK14MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5464101 0.70 MAPK14 (0.47) MAPK14MEN1KMT2AALDH1A1CDC7
SCHEMBL5256789 0.70 DYRK1A (0.43) DYRK1AMAPK14MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION 2004-09-09 US claimed
CN-1264377-A Substituted pyrazoles as P38 kinase inhabitors SEARLE & CO (US) 2000-08-23 CN claimed
EP-1500657-B1 Substituted pyrazoles as P38 kinase inhibitors SEARLE LLC (US) 2007-09-19 EP disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-7153959-B2 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION (US) 2006-12-26 US disclosed
US-7071198-B1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION (US) 2006-07-04 US disclosed
US-6979686-B1 Substituted pyrazoles as p38 kinase inhibitors PHARMACIA CORPORATION (US) 2005-12-27 US disclosed
EP-1500657-A1 Substituted pyrazoles as P38 kinase inhibitors G.D. Searle LLC (US) 2005-01-26 EP disclosed
EP-1144403-B1 SUBSTITUTED PYRAZOLES AS P38 KINASE INHIBITORS SEARLE LLC (US) 2004-10-06 EP disclosed
US-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION 2004-09-09 US disclosed
US-6617324-B1 Phenyl, cyclohexyl and pyridinyl or pyrimidinyl-substituted G. D. SEARLE & COMPANY 2003-09-09 US disclosed
US-6525059-B1 Mitogen-activated protein kinases (MAP); G. D. SEARLE & COMPANY 2003-02-25 US disclosed
US-6514977-B1 For treating p38 kinase mediated disorders G.D. SEARLE & COMPANY 2003-02-04 US disclosed
US-6423713-B1 Substituted pyrazoles as p38 kinase inhibitors G. D. SEARLE & COMPANY 2002-07-23 US disclosed
CN-1342157-A Substituted pyrazoles ASP38 kinase inhibitors SEARLE & CO (US) 2002-03-27 CN disclosed
CN-1273603-A Attenuated respiratory syncytial virus AMERICAN CYANAMID CO (US) 2000-11-15 CN 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-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis MAPK1, IL1R1, TNF PDGFRB 813/4885MAPK1 1/4885DYRK1A 3719/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 PDGFRB 2673/4885MAPK1 1/4885DYRK1A 2423/4885

“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.