SCHEMBL4013185

SCHEMBL4013185

COC(=O)C(c1cnc(C(=O)c2ccccc2Cl)c(Cl)n1)c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 5/20 0.39
MAPK12 P53778 5/20 0.39
MAPK11 Q15759 5/20 0.39
MAPK14 Q16539 5/20 0.39
KMT2A Q03164 2/20 0.34
HDAC4 P56524 3/20 0.34
HDAC3 O15379 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
CTSA P10619 4/20 0.34
MAPK7 Q13164 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CDK2 P24941 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL27733909 0.82 MAPK13 (0.37) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL7582231 0.69 KMT2A (0.44) KMT2AHDAC4HDAC3HDAC7HDAC8
SCHEMBL4012971 0.69 KMT2A (0.45) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL4014225 0.67 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL3578523 0.65 MAPK1 (0.39) KMT2ACTSAMAPK7TDP1KDM4E
SCHEMBL19641109 0.65 CDK2 (0.42) MAPK14KMT2AMAPK7CDK2
SCHEMBL8210564 0.65 TDP1 (0.46) KMT2ATDP1ALDH1A1
SCHEMBL19641085 0.64 KMO (0.38) MAPK13MAPK12MAPK11MAPK14TDP1
SCHEMBL256218 0.63 HDAC4 (0.39) KMT2AHDAC4HDAC3HDAC7HDAC8
SCHEMBL19641316 0.63 CCR4 (0.37) MAPK13MAPK12MAPK11MAPK14TDP1

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 13 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-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US disclosed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US disclosed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 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
WO-2007023105-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO disclosed
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-15 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-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 MAPK13 38/4885MAPK12 43/4885MAPK11 46/4885
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same MAP3K1, MAP3K21, MAP3K2 MAPK13 57/4885MAPK12 72/4885MAPK11 58/4885

“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.