Sugi Predict

Sugi Predict / Compounds / SCHEMBL6302515

SCHEMBL6302515

SCHEMBL6302515

Cc1n[nH]c(C(=O)c2cccc(F)c2)c1-c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ GRM1 Q13255 1/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42
▸ MAPK14 Q16539 2/20 0.40
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CDC7 O00311 1/20 0.38
▸ ROCK1 Q13464 2/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ LTA4H P09960 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL23780336 0.74 PIN1 (0.50) KMT2AMEN1ALOX15
SCHEMBL30829469 0.71 LMNA (0.46) KMT2AALDH1A1MEN1GAAGSK3B
SCHEMBL6302427 0.71 BRD4 (0.42) MAPK14CDC7ROCK1ROCK2CYP1A2
SCHEMBL6304944 0.70 MAPK14 (0.43) KMT2AMAPK14GSK3BCDC7ROCK1
SCHEMBL6308496 0.70 KMT2A (0.43) KMT2AALDH1A1TSHRGRM1CDK5
SCHEMBL6304396 0.69 CHEK1 (0.52) ALDH1A1
SCHEMBL6304393 0.69 CHEK1 (0.52) ALDH1A1
SCHEMBL6309082 0.69 MAPK14 (0.47) KMT2AMAPK14GSK3BCDC7ROCK1
SCHEMBL1258944 0.66 CES2 (0.74) KMT2AMEN1CES2CES1PARP1
SCHEMBL14519431 0.66 MAPK14 (0.44) MAPK14LRRK2

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 8 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
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
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 KMT2A 3185/4885ALDH1A1 1812/4885TSHR 1523/4885

“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.