SCHEMBL2617005

SCHEMBL2617005

CC(C)(C)c1cc(NC(=O)Nc2cccc(F)c2)n(-c2ccc3c(c2)CCNCC3)n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.55
MAPK13 O15264 11/20 0.55
MAPK12 P53778 11/20 0.55
MAPK11 Q15759 11/20 0.55
BRAF P15056 1/20 0.53
DDR2 Q16832 2/20 0.53
ABL1 P00519 1/20 0.51
MAPK9 P45984 1/20 0.50
NTRK1 P04629 1/20 0.50
KCNJ6 P48051 1/20 0.49
KCNJ5 P48544 1/20 0.49
KCNJ3 P48549 1/20 0.49

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 SCHEMBL2081292 0.99 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL2617000 0.89 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL2616972 0.88 MAP3K7 (0.55) MAPK14MAPK13MAPK12MAPK11BRAF
Hydrochloric Acid SCHEMBL2083363 0.88 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11BRAF
Hydrochloric Acid SCHEMBL2083852 0.87 MAP3K7 (0.54) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL2081267 0.84 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL2617032 0.84 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11DDR2
Hydrochloric Acid SCHEMBL2082177 0.84 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2078624 0.83 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL2080852 0.83 MAP3K7 (0.54) MAPK14MAPK13MAPK12MAPK11BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 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 (2 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-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK MAPK14 128/4885MAPK13 162/4885MAPK12 160/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 MAPK14 100/4885MAPK13 118/4885MAPK12 99/4885

“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.