SCHEMBL4017744

SCHEMBL4017744

Cn1c(=O)c(Oc2ccc(F)cc2F)cc2[nH]nc(I)c21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.51
MAPK8 P45983 10/20 0.44
MAPK9 P45984 3/20 0.41
MAPK10 P53779 3/20 0.41
MAPK11 Q15759 3/20 0.41
RPS6KA4 O75676 2/20 0.41
RPS6KA3 P51812 2/20 0.41
NLK Q9UBE8 2/20 0.41
CSNK1E P49674 1/20 0.41
GAK O14976 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
MAPK1 P28482 1/20 0.40
CSNK1D P48730 1/20 0.40
DDR1 Q08345 1/20 0.40
TAOK1 Q7L7X3 1/20 0.40
COQ8A Q8NI60 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
STK36 Q9NRP7 1/20 0.40

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
SCHEMBL4013991 0.79 MAPK14 (0.49) MAPK14MAPK8MAPK11
SCHEMBL14019140 0.78 MAOA (0.38) MAPK14
SCHEMBL4017442 0.70 MAPK14 (0.44) MAPK14MAPK8MAPK9MAPK10MAPK11
SCHEMBL1357928 0.68 MAPK14 (1.00) MAPK14MAPK8
SCHEMBL4014023 0.67 MAPK14 (0.48) MAPK14MAPK8
SCHEMBL31617549 0.66 CA12 (0.32)
SCHEMBL4013250 0.66 MAPK14 (0.46) MAPK14MAP4K4
SCHEMBL14513445 0.66 MAPK14 (0.67) MAPK14MAPK8MAPK9MAPK10MAPK11
SCHEMBL14014414 0.66 MAPK14 (0.74) MAPK14MAPK8MAPK9MAPK10MAPK11
SCHEMBL29830775 0.66 MAPK14 (0.67) MAPK14MAPK8MAPK9MAPK10MAPK11

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 70/4885MAPK8 16/4885MAPK9 45/4885
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 MAPK14 33/4885MAPK8 19/4885MAPK9 44/4885

“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.