SCHEMBL13234650

SCHEMBL13234650

COc1ccc(CN(C)C(=O)Nc2cc(C(C)(C)C)on2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 10/20 0.60
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
MAPK14 Q16539 1/20 0.49
RIPK2 O43353 1/20 0.48
KDM4E B2RXH2 1/20 0.47
EGFR P00533 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL13234653 0.88 RAF1 (0.58) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL13234649 0.87 GAA (0.53) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL13234648 0.86 CNR2 (0.54) RAF1MAPK14EGFRLMNAMAPT
SCHEMBL11473487 0.86 RAB9A (0.57) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL13234652 0.84 CNR2 (0.55) RAF1MAPK14EGFRNPC1RAB9A
SCHEMBL2950766 0.82 RAF1 (0.64) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL13199934 0.81 KDM4E (0.71) RAF1KDM4EEGFRHPGDKMT2A
SCHEMBL2944830 0.79 RAF1 (0.66) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL13199974 0.79 RAF1 (0.60) RAF1KDM4EEGFRMAPTNPC1
SCHEMBL13234657 0.79 RAF1 (0.63) RAF1MAPK13MAPK12MAPK11MAPK14

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-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 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-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS ABL1, ABL2, BCR RAF1 372/4885MAPK13 1519/4885MAPK12 1372/4885

“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.