SCHEMBL12782886

SCHEMBL12782886

Cc1nnc(-c2ccc(C)c(-c3cnc4c(c3)NC(=O)C43CCOCC3)c2)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.62
RAF1 P04049 3/20 0.50
NTRK1 P04629 1/20 0.50
HTR1B P28222 1/20 0.50

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
Hydrochloric Acid SCHEMBL2077085 0.99 MAPK14 (0.61) MAPK14RAF1NTRK1HTR1B
Hydrochloric Acid SCHEMBL2077083 0.98 MAPK14 (0.60) MAPK14RAF1NTRK1HTR1B
SCHEMBL2076446 0.85 MAPK14 (0.74) MAPK14RAF1NTRK1HTR1B
SCHEMBL1233406 0.78 MAPK14 (0.69) MAPK14RAF1NTRK1HTR1B
SCHEMBL1233180 0.78 MAPK14 (0.66) MAPK14RAF1NTRK1HTR1B
SCHEMBL1233583 0.77 MAPK14 (1.00) MAPK14RAF1NTRK1HTR1B
SCHEMBL2073524 0.74 MAPK14 (1.00) MAPK14RAF1
SCHEMBL1233370 0.74 MAPK14 (0.64) MAPK14RAF1NTRK1HTR1B
SCHEMBL1233814 0.73 MAPK14 (0.68) MAPK14RAF1NTRK1HTR1B
SCHEMBL2076564 0.73 MAPK14 (0.71) MAPK14RAF1NTRK1HTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280943-B1 NEW SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDO]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS ALMIRALL SA (ES) 2013-11-06 EP claimed
US-8772288-B2 Substituted spiro[cycloalkyl-1,3′-indo]-2′(1′H)-one derivatives and their use as P38 mitogen-activated kinase inhibitors ALMIRALL, S.A. (ES) 2014-07-08 US disclosed
US-8772288-B2 Substituted spiro[cycloalkyl-1,3′-indo]-2′(1′H)-one derivatives and their use as P38 mitogen-activated kinase inhibitors ALMIRALL, S.A. (ES) 2014-07-08 US disclosed
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
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
WO-2009124692-A1 NEW SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDOL]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS. ALMIRALL, S.A. (ES) 2009-10-15 WO disclosed
EP-2108641-A1 New substituted spiro[cycloalkyl-1,3'-indo]-2'(1'H)-one derivatives and their use as p38 mitogen-activated kinase inhibitors Laboratorios Almirall, S.A. (ES) 2009-10-14 EP 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 71/4885NTRK1 964/4885

“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.