SCHEMBL12656748

SCHEMBL12656748

COC1CCC(C(=O)Nc2cc(-c3cc(COCc4noc(F)n4)nc(Nc4ccc(F)cc4)c3)ccn2)CC1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 16/20 0.65
▸ MAPK10 P53779 8/20 0.65
▸ MAPK8 P45983 7/20 0.65
▸ PIP5K1C O60331 1/20 0.45
▸ PIK3CA P42336 1/20 0.45
▸ GSK3B P49841 9/20 0.44
▸ GSK3A P49840 2/20 0.42
▸ BUB1 O43683 1/20 0.40

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
SCHEMBL18431264 0.87 MAPK14 (0.60) MAPK14MAPK10MAPK8PIP5K1CPIK3CA
SCHEMBL12627466 0.87 MAPK14 (0.60) MAPK14MAPK10MAPK8PIP5K1CPIK3CA
SCHEMBL1518805 0.81 MAPK10 (1.00) MAPK14MAPK10MAPK8PIP5K1CPIK3CA
SCHEMBL21068073 0.81 MAPK10 (1.00) MAPK14MAPK10MAPK8PIP5K1CPIK3CA
SCHEMBL17223597 0.81 MAPK10 (1.00) MAPK14MAPK10MAPK8PIP5K1CPIK3CA
SCHEMBL12627476 0.80 MAPK14 (0.59) MAPK14MAPK10MAPK8PIP5K1CPIK3CA
SCHEMBL18431826 0.80 MAPK14 (0.59) MAPK14MAPK10MAPK8PIP5K1CPIK3CA
SCHEMBL12627470 0.79 MAPK14 (0.60) MAPK14MAPK10MAPK8PIP5K1CPIK3CA
SCHEMBL18431823 0.79 MAPK14 (0.60) MAPK14MAPK10MAPK8PIP5K1CPIK3CA
SCHEMBL12656770 0.78 MAPK14 (0.67) MAPK14MAPK10MAPK8PIP5K1CPIK3CA

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-20110117073-A1 Protein Kinase Conjugates and Inhibitors AVILA THERAPEUTICS, INC. (US) 2011-05-19 — — 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-20110117073-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, PACSIN2, MAP3K9 MAPK14 296/4885MAPK10 294/4885MAPK8 212/4885

“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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