SCHEMBL13764828

SCHEMBL13764828

Cn1ncc2[nH]c(=O)c(Oc3ccc(F)cc3F)cc21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 4/20 0.42
▸ BRD4 O60885 13/20 0.41
▸ NPBWR1 P48145 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ TRPA1 O75762 2/20 0.39

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
SCHEMBL4014501 0.78 BRD4 (0.38) MAPK14BRD4NPBWR1MCHR1MAPK8
SCHEMBL14019141 0.78 BRD4 (0.39) BRD4
SCHEMBL5202525 0.69 MAPK14 (0.45) MAPK14BRD4TRPA1
SCHEMBL10456772 0.67 TRPA1 (0.56) TRPA1
SCHEMBL13239748 0.67 MAPK14 (0.57) MAPK14MAPK8TRPA1
SCHEMBL29537119 0.67 MAPK14 (0.57) MAPK14MAPK8TRPA1
SCHEMBL22139066 0.67 MAPK14 (0.60) MAPK14MAPK8TRPA1
SCHEMBL14266291 0.66 MAPK14 (0.56) MAPK14BRD4MAPK8TRPA1
SCHEMBL16738717 0.66 BRD4 (0.53) MAPK14BRD4MAPK8
SCHEMBL24099148 0.64 PARP1 (0.48) —

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 2 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-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 33/4885BRD4 1593/4885NPBWR1 3007/4885

“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.

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