SCHEMBL13764807

SCHEMBL13764807

C[C@H](O)CNCc1cc2c(-c3ccccc3Cl)n[nH]c2nc1Oc1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.39
PDCD1LG2 Q9BQ51 3/20 0.36
CD274 Q9NZQ7 3/20 0.36
MAPK11 Q15759 1/20 0.36
CARM1 Q86X55 2/20 0.36
PRMT6 Q96LA8 1/20 0.36
TRPA1 O75762 2/20 0.35
PTGES O14684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSA P10619 1/20 0.34

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
SCHEMBL4015180 1.00 MAPK14 (0.39) MAPK14PDCD1LG2CD274MAPK11CARM1
SCHEMBL4020089 0.88 SLC6A2 (0.45) MAPK14MAPK11TRPA1
SCHEMBL4019146 0.87 TRPA1 (0.41) MAPK14MAPK11TRPA1SMN1; SMN2CTSA
SCHEMBL4014863 0.84 TGFBR1 (0.40) MAPK14MAPK11CARM1PRMT6CTSA
SCHEMBL4015352 0.82 TRPA1 (0.41) MAPK14MAPK11TRPA1
SCHEMBL4014032 0.81 TRPA1 (0.45) MAPK14TRPA1CTSA
SCHEMBL5097216 0.81 MAPK14 (0.42) MAPK14MAPK11TRPA1
SCHEMBL4014052 0.80 MAPK14 (0.37) MAPK14MAPK11CARM1PRMT6TRPA1
SCHEMBL14019123 0.80 MAPK14 (0.37) MAPK14MAPK11CARM1PRMT6TRPA1
SCHEMBL4014041 0.80 MAPK14 (0.37) MAPK14MAPK11CARM1PRMT6TRPA1

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 4 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-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

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-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 MAPK14 33/4885PDCD1LG2 3101/4885CD274 4397/4885

“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.