SCHEMBL4017442

SCHEMBL4017442

Cn1c(=O)c(Oc2ccc(F)cc2F)cc2c1c(I)nn2C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.44
HIF1A Q16665 1/20 0.40
MAPK8 P45983 7/20 0.39
MAPK9 P45984 2/20 0.38
MAPK10 P53779 2/20 0.38
MAPK11 Q15759 2/20 0.38
RPS6KA4 O75676 1/20 0.38
CSNK1E P49674 1/20 0.38
RPS6KA3 P51812 1/20 0.38
NLK Q9UBE8 1/20 0.38
BRD4 O60885 1/20 0.36

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
SCHEMBL4016267 0.82 MAPK14 (0.43) MAPK14MAPK8BRD4
SCHEMBL4015729 0.78 HSPB1 (0.38) MAPK14BRD4
SCHEMBL22801735 0.74 MAP2K4 (0.39) BRD4
SCHEMBL15169674 0.74 MAP2K4 (0.43)
SCHEMBL4065596 0.70 HIF1A (0.44) HIF1A
SCHEMBL4017744 0.70 MAPK14 (0.51) MAPK14MAPK8MAPK9MAPK10MAPK11
SCHEMBL22345411 0.67 SCN9A (0.38) BRD4
SCHEMBL31134050 0.67 SCN9A (0.38) BRD4
SCHEMBL177566 0.66 ESR2 (0.40) RPS6KA3
SCHEMBL14739081 0.66 HTR6 (0.46) RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US disclosed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US disclosed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US disclosed
EP-1919470-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-14 EP disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
WO-2007023105-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO disclosed
EP-1737865-A1 FUSED DERIVATIVES OF PYRAZOLE F.HOFFMANN-LA ROCHE AG (CH) 2007-01-03 EP disclosed
WO-2005085249-A1 FUSED DERIVATIVES OF PYRAZOLE F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed
US-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-08 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 (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-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same MAP3K1, MAPK1, MAP3K8 MAPK14 70/4885HIF1A 2566/4885MAPK8 16/4885
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 MAPK14 33/4885HIF1A 3107/4885MAPK8 19/4885

“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.