SCHEMBL6310322

SCHEMBL6310322

OCc1nn(-c2ccc(Cl)cc2)cc1-c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
FLT3 P36888 2/20 0.49
GSK3B P49841 1/20 0.49
PTGS2 P35354 2/20 0.45
KDM4E B2RXH2 3/20 0.44
NOTUM Q6P988 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 4/20 0.42
BRAF P15056 3/20 0.41
KDR P35968 3/20 0.41
SRC P12931 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGS1 P23219 1/20 0.39
HTT P42858 1/20 0.39
MAPK14 Q16539 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL10509737 0.91 RAB9A (0.58) RAB9APTGS2KDM4ENOTUMMAPT
SCHEMBL11765171 0.87 RAB9A (0.62) RAB9APTGS2KDM4ENOTUMMAPT
SCHEMBL11763853 0.84 RAB9A (0.70) RAB9APTGS2KDM4EMAPTALDH1A1
SCHEMBL6302056 0.83 FLT3 (0.53) RAB9AFLT3GSK3BKDM4ENOTUM
SCHEMBL8110243 0.75 ALDH1A1 (0.52) RAB9AFLT3GSK3BPTGS2KDM4E
SCHEMBL11443525 0.75 KDM4E (0.56) RAB9APTGS2KDM4EMAPTALDH1A1
SCHEMBL6304987 0.75 RAB9A (0.49) RAB9APTGS2KDM4ENOTUMALDH1A1
SCHEMBL11763450 0.74 RAB9A (0.75) RAB9APTGS2KDM4ENOTUMMAPT
SCHEMBL11763669 0.73 RAB9A (0.47) RAB9APTGS2KDM4EMAPTCA12
SCHEMBL11762851 0.73 KDM4E (0.57) RAB9APTGS2KDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144529-A1 Pyrazole derivatives as p38 kinase inhibitors PHARMACIA CORPORATION 2003-07-31 US claimed
EP-1019394-A1 PYRAZOLE DERIVATIVES AS p38 KINASE INHIBITORS G.D. Searle & Co. (US) 2000-07-19 EP claimed
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 claimed
WO-1998052941-A1 PYRAZOLE DERIVATIVES AS p38 KINASE INHIBITORS G.D. SEARLE AND CO. (US) 1998-11-26 WO claimed
US-6852740-B2 Pyrazole derivatives as p38 kinase inhibitors G. D. SEARLE & CO. (US) 2005-02-08 US disclosed
US-20030144529-A1 Pyrazole derivatives as p38 kinase inhibitors PHARMACIA CORPORATION 2003-07-31 US disclosed
US-6503930-B1 Treating cytokine-mediated diseases, such as inflammation G.D. SEARLE & COMPANY 2003-01-07 US disclosed
EP-1019394-A1 PYRAZOLE DERIVATIVES AS p38 KINASE INHIBITORS G.D. Searle & Co. (US) 2000-07-19 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
WO-1998052941-A1 PYRAZOLE DERIVATIVES 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 (1 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-20030144529-A1 Pyrazole derivatives as p38 kinase inhibitors MAPK1, MAPK3, MAP3K1 RAB9A 1009/4885FLT3 520/4885GSK3B 701/4885

“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.