SCHEMBL9970930

SCHEMBL9970930

CNc1cc(-n2nc(CN(C)C)cc2Nc2cc(NC(=O)Nc3ccc(C)c(C(F)(F)F)c3)ccc2C)ncn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.46
RAF1 P04049 5/20 0.42
MAPK3 P27361 2/20 0.42
KDR P35968 7/20 0.40
MAPK14 Q16539 5/20 0.40
HCK P08631 3/20 0.40
TNNI3K Q59H18 3/20 0.40
MAP3K7 O43318 2/20 0.40
INSR P06213 2/20 0.40
LCK P06239 2/20 0.40
FES P07332 2/20 0.40
LYN P07948 2/20 0.40
RET P07949 2/20 0.40
SRC P12931 2/20 0.40
FER P16591 2/20 0.40
MAP4K2 Q12851 2/20 0.40
STK25 O00506 1/20 0.40
CIT O14578 1/20 0.40
MAP2K7 O14733 1/20 0.40
IKBKB O14920 1/20 0.40

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
SCHEMBL3583251 0.94 BRAF (0.55) BRAFRAF1MAPK3KDRMAPK14
SCHEMBL9970887 0.91 BRAF (0.48) BRAFRAF1MAPK3KDRMAPK14
SCHEMBL9970921 0.88 BRAF (0.51) BRAFRAF1MAPK3KDRMAPK14
SCHEMBL3592095 0.85 BRAF (0.57) BRAFRAF1MAPK3KDRMAPK14
SCHEMBL9970889 0.85 BRAF (0.51) BRAFRAF1MAPK3KDRMAPK14
SCHEMBL3596820 0.82 BRAF (0.49) BRAFRAF1MAPK3KDRLCK
SCHEMBL9970888 0.82 BRAF (0.45) BRAFRAF1MAPK3KDRMAPK14
SCHEMBL3588170 0.82 KDR (0.42) BRAFRAF1MAPK3KDRMAPK14
SCHEMBL9970931 0.82 BRAF (0.42) BRAFRAF1MAPK3KDRMAPK14
SCHEMBL3593254 0.82 BRAF (0.48) BRAFRAF1MAPK3KDRMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 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-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK BRAF 11/4885RAF1 10/4885MAPK3 240/4885

“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.