SCHEMBL15075633

SCHEMBL15075633

Oc1cc(-c2[nH]c(-c3cccnc3)nc2-c2ccncc2)ccc1Cl

nearest known ligand 0.91

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.91
RAF1 P04049 8/20 0.72
CYP19A1 P11511 1/20 0.59
MAPK13 O15264 9/20 0.58
MAPK12 P53778 9/20 0.58
MAPK11 Q15759 9/20 0.58
MAPK14 Q16539 9/20 0.58
GCGR P47871 2/20 0.54
MAPK9 P45984 1/20 0.52
NPY5R Q15761 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
SCHEMBL12856388 0.89 BRAF (0.90) BRAFRAF1MAPK13MAPK12MAPK11
SCHEMBL7643418 0.84 BRAF (1.00) BRAFRAF1MAPK13MAPK12MAPK11
SCHEMBL29355176 0.84 BRAF (1.00) BRAFRAF1MAPK13MAPK12MAPK11
Bromide SCHEMBL7648283 0.82 BRAF (0.95) BRAFRAF1MAPK13MAPK12MAPK11
SCHEMBL7648286 0.80 BRAF (0.91) BRAFRAF1MAPK13MAPK12MAPK11
SCHEMBL28398004 0.79 MAPK13 (0.77) BRAFRAF1CYP19A1MAPK13MAPK12
SCHEMBL15075705 0.79 MAPK14 (0.70) BRAFRAF1MAPK13MAPK12MAPK11
SCHEMBL15075635 0.79 MAPK14 (0.78) BRAFRAF1MAPK13MAPK12MAPK11
SCHEMBL2649589 0.76 MAPK13 (0.90) BRAFRAF1MAPK13MAPK12MAPK11
SCHEMBL9736817 0.76 MAPK13 (0.71) BRAFRAF1CYP19A1MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165472-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 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-20130165472-A1 HETEROARYLS AND USES THEREOF PIK3R4, VPS4B, PIK3C2A BRAF 2006/4885RAF1 1509/4885CYP19A1 1522/4885

“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.