SCHEMBL9967498

SCHEMBL9967498

CNc1cc(-n2nc(C)cc2Nc2cc(NC(=O)c3ccnc(C(C)(C)OC)c3)ccc2C)ncn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.44
BRAF P15056 7/20 0.41
RAF1 P04049 1/20 0.41
LCK P06239 5/20 0.40
LYN P07948 4/20 0.40
SRC P12931 4/20 0.40
KDR P35968 4/20 0.40
HCK P08631 3/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
INSR P06213 3/20 0.38

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
SCHEMBL3587232 0.94 BRAF (0.42) MAPK14BRAFRAF1LCKLYN
SCHEMBL3594934 0.92 LMNA (0.48) MAPK14BRAFRAF1NPC1LMNA
SCHEMBL3598049 0.91 MAPK14 (0.47) MAPK14BRAFRAF1NPC1LMNA
SCHEMBL3583992 0.91 BRAF (0.46) MAPK14BRAFRAF1LCKLYN
SCHEMBL9970883 0.91 MAPK14 (0.42) MAPK14BRAFRAF1LCKLYN
SCHEMBL3587482 0.91 MAPK14 (0.46) MAPK14BRAFRAF1LCKLYN
SCHEMBL3586800 0.91 BRAF (0.46) MAPK14BRAFRAF1LCKLYN
SCHEMBL3589609 0.89 BRAF (0.53) BRAFRAF1
SCHEMBL3593212 0.89 LCK (0.48) BRAFRAF1LCKLYNSRC
SCHEMBL3586007 0.89 MAPK14 (0.49) MAPK14BRAFRAF1LCKLYN

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 3 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
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 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 (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 MAPK14 337/4885BRAF 11/4885RAF1 10/4885

“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.