Sugi Predict

Sugi Predict / Compounds / SCHEMBL2084076

SCHEMBL2084076

SCHEMBL2084076

C[C@H](NC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C#N)c1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 17/20 0.55
▸ MAPK13 O15264 13/20 0.55
▸ MAPK12 P53778 13/20 0.55
▸ MAPK11 Q15759 13/20 0.55
▸ MAP3K7 O43318 1/20 0.55
▸ DDR2 Q16832 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ NTRK1 P04629 1/20 0.51
▸ NTRK2 Q16620 1/20 0.51

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
SCHEMBL20569742 0.85 MAP3K7 (0.61) MAPK14MAPK13MAPK12MAPK11MAP3K7
SCHEMBL2082577 0.82 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2083118 0.80 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11MAP3K7
SCHEMBL28559569 0.80 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11MAP3K7
SCHEMBL2079359 0.79 MAP3K7 (0.63) MAPK14MAPK13MAPK12MAPK11MAP3K7
SCHEMBL2082582 0.79 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11MAP3K7
SCHEMBL18655321 0.78 MAPK13 (0.73) MAPK14MAPK13MAPK12MAPK11GAA
SCHEMBL2082687 0.78 MAP3K7 (0.64) MAPK14MAPK13MAPK12MAPK11MAP3K7
SCHEMBL2080978 0.78 MAP3K7 (0.62) MAPK14MAPK13MAPK12MAPK11MAP3K7
SCHEMBL2083711 0.78 MAP3K7 (0.57) MAPK14MAPK13MAPK12MAPK11MAP3K7

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 6 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-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-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
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.