SCHEMBL13646292

SCHEMBL13646292

CC1(C)OC[C@@H](COc2cc(Oc3ccc(F)cc3F)cc3c2cnn3COCC[Si](C)(C)C)O1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 12/20 0.37
▸ CCNK O75909 1/20 0.37
▸ CDK12 Q9NYV4 1/20 0.37
▸ JAK2 O60674 3/20 0.37
▸ NTRK1 P04629 3/20 0.37
▸ F2RL3 Q96RI0 1/20 0.33
▸ DGAT1 O75907 1/20 0.32

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
SCHEMBL3863406 1.00 MAPK14 (0.37) MAPK14CCNKCDK12JAK2NTRK1
SCHEMBL4793059 0.96 JAK2 (0.35) MAPK14CCNKCDK12JAK2NTRK1
SCHEMBL3864307 0.78 DGAT1 (0.42) MAPK14DGAT1
SCHEMBL31411454 0.67 DGAT1 (0.38) DGAT1
SCHEMBL15906056 0.67 MAPK14 (0.47) MAPK14JAK2NTRK1
SCHEMBL31411444 0.66 DGAT1 (0.36) DGAT1
SCHEMBL4014501 0.66 BRD4 (0.38) MAPK14DGAT1
SCHEMBL4013172 0.66 MAPK14 (0.46) MAPK14
SCHEMBL18812550 0.65 MAPK14 (0.46) MAPK14JAK2NTRK1
SCHEMBL16429533 0.64 MAPK14 (0.47) MAPK14JAK2NTRK1

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-7601726-B2 Substituted pyrazolo[3,4-d]pyrimidines as p38 MAP kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-10-13 — — US disclosed
US-7601726-B2 Substituted pyrazolo[3,4-d]pyrimidines as p38 MAP kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-10-13 — — US disclosed
US-20070054915-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-08 — — US disclosed
US-20070054915-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-08 — — 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-20070054915-A1 p38 MAP kinase inhibitors and methods for using the same MAPK1, MAP3K1, MAP3K7 MAPK14 36/4885CCNK 387/4885CDK12 457/4885

“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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