SCHEMBL12023701

SCHEMBL12023701

COc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4sccn34)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.73
RAF1 P04049 16/20 0.73
EGFR P00533 1/20 0.57
ERN1 O75460 1/20 0.55
ABL1 P00519 1/20 0.55
FGFR1 P11362 1/20 0.55
FLT3 P36888 1/20 0.55
MAPK8 P45983 1/20 0.55
MAPK11 Q15759 1/20 0.55
MAPK14 Q16539 1/20 0.55
NTRK2 Q16620 1/20 0.55
HIPK1 Q86Z02 1/20 0.55
MAP3K20 Q9NYL2 1/20 0.55

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
SCHEMBL12023692 0.93 BRAF (0.64) BRAFRAF1EGFRERN1ABL1
SCHEMBL12023661 0.91 BRAF (0.72) BRAFRAF1MAPK11MAPK14
SCHEMBL12023679 0.88 BRAF (0.68) BRAFRAF1EGFRERN1ABL1
SCHEMBL12023655 0.88 BRAF (0.71) BRAFRAF1ERN1ABL1FGFR1
SCHEMBL21152542 0.84 BRAF (1.00) BRAFRAF1EGFR
SCHEMBL20969811 0.84 BRAF (1.00) BRAFRAF1EGFR
SCHEMBL12024166 0.84 BRAF (0.66) BRAFRAF1EGFRERN1ABL1
SCHEMBL12024052 0.83 BRAF (0.67) BRAFRAF1EGFRERN1ABL1
SCHEMBL12023686 0.82 BRAF (0.61) BRAFRAF1EGFRERN1ABL1
SCHEMBL14561034 0.82 BRAF (0.61) BRAFRAF1EGFRMAPK8MAP3K20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. (US) 2011-12-08 US disclosed
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. (US) 2011-12-08 US disclosed
US-7902192-B2 Inhibitors of P38 and methods of using the same ARQULE, INC. (US) 2011-03-08 US disclosed
US-7902192-B2 Inhibitors of P38 and methods of using the same ARQULE, INC. (US) 2011-03-08 US disclosed
EP-2251343-A1 IMIDAZOTHIAZOLES AS P38-KINASE-INHIBITORS ARQULE, INC. (US) 2010-11-17 EP disclosed
US-20070270418-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. 2007-11-22 US disclosed
US-20070270418-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. 2007-11-22 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-20070270418-A1 Inhibitors of P38 and Methods of Using the Same MAPK1, MAPK8, MAPK7 BRAF 179/4885RAF1 198/4885EGFR 3772/4885
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same MAPK1, MAPK7, MAPK8 BRAF 154/4885RAF1 197/4885EGFR 3656/4885

“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.