SCHEMBL5327985

SCHEMBL5327985

CCCCCc1n[nH]cc1-c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
FLT3 P36888 2/20 0.37
TYRO3 Q06418 2/20 0.37
MERTK Q12866 2/20 0.37
GAS6 Q14393 2/20 0.37
AXL P30530 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5333976 0.83 CYP2D6 (0.48) CYP2D6FLT3TDP1L3MBTL1
SCHEMBL5333972 0.82 TDP1 (0.37) CYP19A1CYP2C9CYP2C19TDP1L3MBTL1
SCHEMBL28992468 0.79 DHFR (0.44) FLT3AXL
SCHEMBL6089012 0.77 CYP1A2 (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL7137809 0.75 CYP1A2 (0.43) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL21565078 0.73 LIPG (0.47) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL2955776 0.73 LIPG (0.47) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL9243660 0.73 CYP1A2 (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL10776410 0.72 TDP1 (0.34) FLT3AXLTDP1L3MBTL1
SCHEMBL4551952 0.72 CYP1A2 (0.43) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19

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
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
EP-1144403-A1 SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-10-17 EP disclosed
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 WO disclosed
EP-1000055-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. Searle & Co. (US) 2000-05-17 EP disclosed
WO-1998052940-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE AND CO. (US) 1998-11-26 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-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis MAPK1, IL1R1, TNF CYP1A2 231/4885CYP2D6 1173/4885CYP19A1 851/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 CYP1A2 1069/4885CYP2D6 1867/4885CYP19A1 3632/4885

“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.