SCHEMBL3590069

SCHEMBL3590069

CNC(=O)c1cc(Nc2cc(NC(=O)c3ccnc(C(C)(C)C)c3)ccc2C)n(-c2cc(NC(C)C)ncn2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BRAF P15056 9/20 0.41
RAF1 P04049 7/20 0.41
ALDH1A1 P00352 1/20 0.40
TEK Q02763 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
INSR P06213 1/20 0.37
LCK P06239 1/20 0.37
LYN P07948 1/20 0.37
HCK P08631 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL3583818 0.94 BRAF (0.43) MAPK14LMNANPC1RAB9ASMN1; SMN2
SCHEMBL3590926 0.93 LMNA (0.46) MAPK14LMNANPC1RAB9ASMN1; SMN2
SCHEMBL3587714 0.87 MAPK14 (0.50) MAPK14LMNANPC1RAB9ASMN1; SMN2
SCHEMBL3586666 0.86 BRAF (0.45) MAPK14LMNANPC1RAB9ASMN1; SMN2
SCHEMBL3594934 0.84 LMNA (0.48) MAPK14LMNANPC1RAB9ASMN1; SMN2
SCHEMBL3596372 0.83 MAPK14 (0.55) MAPK14BRAFRAF1INSRLCK
SCHEMBL9967526 0.83 BRAF (0.41) MAPK14BRAFMAPK13MAPK12MAPK11
SCHEMBL3586410 0.83 MAPK14 (0.51) MAPK14BRAFRAF1
SCHEMBL3599112 0.81 BRAF (0.49) MAPK14BRAFINSRLCKLYN
SCHEMBL3591361 0.81 LMNA (0.48) MAPK14LMNANPC1RAB9ASMN1; SMN2

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 10 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 claimed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US claimed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP claimed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO claimed
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
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
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP 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 337/4885LMNA 3788/4885NPC1 3863/4885

“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.