SCHEMBL5259104

SCHEMBL5259104

O=c1ccc(-c2c[nH]nc2-c2ccccc2)n[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.64
HPGD P15428 2/20 0.45
LMNA P02545 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
AKR1B1 P15121 2/20 0.42
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDE4B Q07343 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
PDE3A Q14432 3/20 0.38

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
SCHEMBL482059 0.79 CYP1A2 (1.00) CYP1A2HPGDLMNAMEN1KMT2A
SCHEMBL6539289 0.78 CYP1A2 (0.60) CYP1A2HPGDLMNAMEN1KMT2A
SCHEMBL7689907 0.77 CYP1A2 (0.96) CYP1A2HPGDLMNAMEN1KMT2A
SCHEMBL10354174 0.77 CYP1A2 (0.67) CYP1A2HPGDLMNAMEN1KMT2A
SCHEMBL5812309 0.75 CYP1A2 (0.60) CYP1A2HPGDLMNAMEN1KMT2A
SCHEMBL218119 0.74 ALOX15 (0.52) HPGDLMNAATMNPSR1KDM4E
SCHEMBL9246456 0.74 ALDH1A1 (0.47) HPGDLMNAATMNPSR1KDM4E
SCHEMBL6133302 0.74 CYP1A2 (0.54) CYP1A2KMT2AGPR119GFER
SCHEMBL8889044 0.73 CYP1A2 (0.62) CYP1A2HPGDLMNAMEN1KMT2A
SCHEMBL6539050 0.72 CYP1A2 (0.51) CYP1A2HPGDLMNAMEN1KMT2A

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 39 patents — showing the first 20. 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-7057049-B2 Process for making substituted pyrazoles PHARMACIA CORPORATION (US) 2006-06-06 US disclosed
US-7019005-B2 3 (5)-heteroaryl substituted pyrazoles as p38 kinase inhibitors G. D. SEARLE & CO. (US) 2006-03-28 US disclosed
EP-1613616-A2 PROCESS FOR MAKING SUBSTITUTED PYRAZOLES Pharmacia Corporation (US) 2006-01-11 EP disclosed
US-6979686-B1 Substituted pyrazoles as p38 kinase inhibitors PHARMACIA CORPORATION (US) 2005-12-27 US disclosed
US-6897318-B2 Process for making substituted pyrazoles PHARMACIA CORPORATION (US) 2005-05-24 US disclosed
EP-1511743-A1 PYRAZOLE-DERIVATIVES AS P38 KINASE INHIBITORS Pharmacia Corporation (US) 2005-03-09 EP disclosed
US-20020086869-A1 3 (5) -heteroaryl substituted pyrazoles as p38 kinase inhibitors PHARMACIA CORPORATION 2002-07-04 US disclosed
US-6335336-B1 TREATING TUMOR NECROSIS FACTOR AND MITOGEN-ACTIVATED PROTEIN KINASE(MAP) MEDIATED DISORDERS; ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS; INFLAMMATORY BOWEL DISEASE G.D. SEARLE & COMPANY 2002-01-01 US disclosed
EP-1144403-A1 SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-10-17 EP disclosed
US-6087381-A AN ENZYME INHIBITOR FOR INHIBITING PHOSPHORYLATION MEDIATE THE PRODUCTION OF INFLAMMATORY CYTOKINES, TUMOR NECROSIS FACTOR; TREATING INFLAMMATION, ARTHRITIS, A TNF MEDICATED DISORDER G. D. SEARLE & COMPANY (US) 2000-07-11 US disclosed
US-6087496-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 2000-07-11 US disclosed
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 WO disclosed
EP-0983260-A2 3(5)-HETEROARYL SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. Searle & Co. (US) 2000-03-08 EP disclosed
US-5932576-A USEFUL FOR TREATING P38 KINASE MEDIATED DISORDERS SUCH AS ATHEROSCLEROSIS, RHEUMATIOD ARTHRITIS, INFLAMMATORY BOWEL DISEASE, PSORIASIS AND OTHERS G. D. SEARLE & COMPANY (US) 1999-08-03 US disclosed
WO-1998052937-A2 4-ARYL-3(5)-HETEROARYL SUBSTITUTED PYRAZOLES AS P38 KINASE G.D. SEARLE AND CO. (US) 1998-11-26 WO disclosed
WO-1997001551-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-01-16 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-20020086869-A1 3 (5) -heteroaryl substituted pyrazoles as p38 kinase inhibitors MAPK1, MAPKAPK2, MAPK3 CYP1A2 238/4885HPGD 896/4885LMNA 3584/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 CYP1A2 1069/4885HPGD 1529/4885LMNA 4386/4885

“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.