SCHEMBL6308581

SCHEMBL6308581

O=C(c1cccc(Cl)c1)c1n[nH]cc1-c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 1/20 0.45
MAPK14 Q16539 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 7/20 0.39
MAPK3 P27361 5/20 0.39
PARP1 P09874 1/20 0.39
GRM5 P41594 1/20 0.39
ROCK2 O75116 1/20 0.39
GRK2 P25098 1/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 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
SCHEMBL6308496 0.85 KMT2A (0.43) MAPK14ALDH1A1KMT2APARP1ROCK2
SCHEMBL6302201 0.84 MAPK1 (0.47) MAPK14MEN1KMT2AMAPTMAPK1
SCHEMBL5592041 0.74 MEN1 (0.62) MAPK7MAPK14TDP1KDM4EUSP2
SCHEMBL949150 0.73 CCNC (0.41) MAPK14KDM4ECCNCCDK8
SCHEMBL5255788 0.72 MAPK14 (0.53) MAPK14MAPK1ROCK2GRK2
SCHEMBL1849928 0.72 SMN1; SMN2 (0.58) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7462082 0.71 IKBKB (0.50) MEN1KMT2APARP1
SCHEMBL6302054 0.70 MAPK1 (0.40) MAPK14MAPK1MAPK3ROCK2GRK2
SCHEMBL1846600 0.69 MEN1 (0.60) MAPK14KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL6302465 0.68 GSK3B (0.41) MAPK14KDM4EMEN1KMT2AMAPK1

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 MAPK7 29/4885MAPK14 26/4885TDP1 644/4885

“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.