SCHEMBL12845581

SCHEMBL12845581

Cc1ccc(C(=O)Nc2nc[nH]n2)cc1-c1ccc2c(c1)NOCC21CCCC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.49
RAF1 P04049 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL1233204 0.82 MAPK14 (0.72) MAPK14RAF1CYP1A2CYP2C9CYP2C19
SCHEMBL12845323 0.82 MAPK14 (0.70) MAPK14RAF1CYP1A2CYP2C9CYP2C19
SCHEMBL12845322 0.81 MAPK14 (0.66) MAPK14RAF1CYP1A2CYP2C9CYP2C19
SCHEMBL12845498 0.78 MAPK14 (0.68) MAPK14RAF1CYP1A2CYP2C9CYP2C19
SCHEMBL12845656 0.76 MAPK14 (0.72) MAPK14RAF1
SCHEMBL1233613 0.74 MAPK14 (0.72) MAPK14RAF1CYP1A2CYP2C9CYP2C19
SCHEMBL12845655 0.70 MAPK14 (0.70) MAPK14RAF1CYP1A2CYP2C9CYP2C19
SCHEMBL12845418 0.70 MAPK14 (0.66) MAPK14RAF1CYP1A2CYP2C9CYP2C19
SCHEMBL1233836 0.67 MAPK14 (0.82) MAPK14RAF1CYP1A2CYP2C9CYP2C19
SCHEMBL1235034 0.66 MAPK14 (1.00) MAPK14RAF1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053936-A1 SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDOL]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS ALMIRALL, S.A. (ES) 2011-03-03 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-20110053936-A1 SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDOL]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 MAPK14 25/4885RAF1 71/4885CYP1A2 1351/4885

“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.