SCHEMBL9970931

SCHEMBL9970931

CNc1cc(-n2nc(CN3CCO[C@H](C)C3)cc2Nc2cc(NC(=O)Nc3ccc(C)c(C(F)(F)F)c3)ccc2C)ncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.42
RAF1 P04049 6/20 0.40
KDR P35968 4/20 0.40
RET P07949 4/20 0.40
MAPK14 Q16539 3/20 0.40
MAP3K7 O43318 2/20 0.40
FES P07332 2/20 0.40
HCK P08631 2/20 0.40
FER P16591 2/20 0.40
MAP4K2 Q12851 2/20 0.40
CDK8 P49336 2/20 0.40
RIPK2 O43353 2/20 0.40
ABL1 P00519 2/20 0.40
LCK P06239 2/20 0.40
FYN P06241 2/20 0.40
LYN P07948 2/20 0.40
PDGFRB P09619 2/20 0.40
BCR P11274 2/20 0.40
EPHA2 P29317 2/20 0.40
EPHB2 P29323 2/20 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
SCHEMBL3587695 0.95 BRAF (0.49) BRAFRAF1KDRMAPK14ARAF
SCHEMBL3587692 0.95 BRAF (0.49) BRAFRAF1KDRMAPK14ARAF
SCHEMBL9970889 0.91 BRAF (0.51) BRAFRAF1KDRRETMAPK14
SCHEMBL3587617 0.85 BRAF (0.53) BRAFRAF1KDRMAPK14EGFR
SCHEMBL9970887 0.84 BRAF (0.48) BRAFRAF1KDRRETMAPK14
SCHEMBL14218740 0.82 BRAF (0.54) BRAFRAF1KDRRETMAPK14
SCHEMBL9970930 0.82 BRAF (0.46) BRAFRAF1KDRRETMAPK14
SCHEMBL9970921 0.81 BRAF (0.51) BRAFRAF1KDRRETMAPK14
SCHEMBL3598962 0.80 CSF1R (0.46) BRAFRAF1KDRHCKABL1
SCHEMBL3583324 0.80 CSF1R (0.46) BRAFRAF1KDRHCKABL1

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 10/4885KDR 13/4885

“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.