SCHEMBL12491436

SCHEMBL12491436

CC1(C)OB(c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2)OC1(C)C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.57
BAZ1A Q9NRL2 1/20 0.57
EPHX2 P34913 7/20 0.52
KDR P35968 3/20 0.51
PDGFRB P09619 2/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 2/20 0.51
IDH1 O75874 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
BRAF P15056 1/20 0.46
MAPK14 Q16539 1/20 0.46
TNNI3K Q59H18 1/20 0.46

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
SCHEMBL59604 0.88 KMT2A (0.61) MTORBAZ1AKDRPDGFRBMEN1
SCHEMBL14033133 0.87 KDR (0.57) MTORKDRPDGFRBMEN1MAPT
SCHEMBL5675377 0.86 PDGFRB (0.58) EPHX2KDRPDGFRBMEN1MAPT
SCHEMBL15932600 0.85 RAB9A (0.55) KDRPDGFRBMEN1MAPTHTT
SCHEMBL2122840 0.84 KDR (0.61) KDRPDGFRBCA1CA2CA9
SCHEMBL15932598 0.82 RAB9A (0.55) KDRPDGFRBMEN1MAPTHTT
SCHEMBL3308119 0.81 MEN1 (0.61) MEN1MAPTHTTRAB9AKMT2A
SCHEMBL423849 0.81 PDGFRB (0.54) EPHX2KDRPDGFRBMEN1MAPT
SCHEMBL15917735 0.81 CA2 (0.54) KDRPDGFRBMEN1RAB9AKMT2A
SCHEMBL73204 0.81 L3MBTL1 (0.50) MTORKDRPDGFRBCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150232452-A1 NOVEL RAF KINASE INHIBITORS RUGA CORPORATION (US) 2015-08-20 US disclosed
US-20150232452-A1 NOVEL RAF KINASE INHIBITORS RUGA CORPORATION (US) 2015-08-20 US disclosed
US-20150232452-A1 NOVEL RAF KINASE INHIBITORS RUGA CORPORATION (US) 2015-08-20 US disclosed
US-20140221374-A1 RAF KINASE INHIBITORS RUGA CORPORATION (US) 2014-08-07 US disclosed
US-20140221374-A1 RAF KINASE INHIBITORS RUGA CORPORATION (US) 2014-08-07 US disclosed
US-20140221374-A1 RAF KINASE INHIBITORS RUGA CORPORATION (US) 2014-08-07 US disclosed
EP-2686317-A2 RAF KINASE INHIBITORS Selexagen Therapeutics, Inc. (US) 2014-01-22 EP disclosed
WO-2012125981-A2 RAF KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2012-09-20 WO 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-20140221374-A1 RAF KINASE INHIBITORS BRAF, RAF1, ARAF MTOR 179/4885BAZ1A 655/4885EPHX2 1692/4885
US-20150232452-A1 NOVEL RAF KINASE INHIBITORS BRAF, RAF1, ARAF MTOR 204/4885BAZ1A 638/4885EPHX2 2045/4885

“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.