SCHEMBL6160416

SCHEMBL6160416

COc1cccc(-n2ncc(C(=O)c3cccc(-c4cccnc4)c3)c2N)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.70
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
FGFR1 P11362 3/20 0.49
FGFR2 P21802 3/20 0.49
FGFR3 P22607 3/20 0.49
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
BTK Q06187 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL6159146 0.85 MAPK14 (0.81) MAPK14KEAP1NFE2L2FGFR1FGFR2
SCHEMBL6292073 0.83 MAPK14 (0.70) MAPK14KEAP1NFE2L2FGFR1FGFR2
SCHEMBL20486315 0.83 MAPK14 (0.66) MAPK14NPC1RAB9A
SCHEMBL1417101 0.82 MAPK14 (1.00) MAPK14
SCHEMBL6159275 0.82 MAPK14 (0.61) MAPK14FGFR1FGFR2FGFR3NPC1
SCHEMBL27460660 0.82 MAPK14 (0.79) MAPK14FGFR1FGFR2FGFR3
SCHEMBL6160747 0.81 MAPK14 (0.75) MAPK14FGFR1FGFR2FGFR3
SCHEMBL6159487 0.80 MAPK14 (0.76) MAPK14FGFR1FGFR2FGFR3BTK
SCHEMBL6160656 0.80 MAPK14 (0.69) MAPK14KEAP1NFE2L2FGFR1FGFR2
SCHEMBL27581393 0.79 MAPK14 (0.75) MAPK14FGFR1FGFR2FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1075467-B1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2005-03-30 EP disclosed
US-20030018051-A1 Pyrazole derivatives - p38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2003-01-23 US disclosed
US-20020156114-A1 Pyrazole derivatives - p38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2002-10-24 US disclosed
US-6444696-B1 1-ARYL OR HETEROARYL SUBSTITUTED 5-AMINO-4 CARBONYLPYRAZOLE DERIVATIVES; ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) LLC 2002-09-03 US disclosed
US-20020103245-A1 Pyrazole derivatives P38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2002-08-01 US disclosed
US-6376527-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-6316466-B1 Pyrazole derivatives P-38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US 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 (3 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-20030018051-A1 Pyrazole derivatives - p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K8 MAPK14 32/4885KEAP1 1410/4885NFE2L2 2110/4885
US-20020103245-A1 Pyrazole derivatives P38 MAP kinase inhibitors MAPK1, MAPK8, MAPKAPK2 MAPK14 34/4885KEAP1 1203/4885NFE2L2 1688/4885
US-20020156114-A1 Pyrazole derivatives - p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K8 MAPK14 32/4885KEAP1 1410/4885NFE2L2 2110/4885

“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.