SCHEMBL3593604

SCHEMBL3593604

Cc1ccc(NC(=O)c2ccnc(C(C)(C)C)c2)cc1Nc1ccnn1-c1cc(NC(=O)CN(C)C)ncn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 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 7/20 0.42
RAF1 P04049 6/20 0.42
ALDH1A1 P00352 1/20 0.41
INSR P06213 1/20 0.40
LCK P06239 1/20 0.40
LYN P07948 1/20 0.40
HCK P08631 1/20 0.40
SRC P12931 1/20 0.40
KDR P35968 1/20 0.40
TEK Q02763 1/20 0.39

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
SCHEMBL3591361 0.89 LMNA (0.48) MAPK14LMNANPC1RAB9ASMN1; SMN2
SCHEMBL4038564 0.86 MAPK14 (0.43) MAPK14INSRLCKLYNHCK
SCHEMBL3591946 0.84 LMNA (0.49) MAPK14LMNANPC1RAB9ASMN1; SMN2
SCHEMBL3598459 0.83 MAPK14 (0.49) MAPK14BRAFRAF1
SCHEMBL3596225 0.83 MAPK14 (0.47) MAPK14BRAFRAF1INSRLCK
SCHEMBL3592143 0.82 MAPK14 (0.58) MAPK14BRAFRAF1INSRLCK
SCHEMBL3587482 0.81 MAPK14 (0.46) MAPK14LMNANPC1RAB9ASMN1; SMN2
SCHEMBL3590014 0.81 RAF1 (0.55) BRAFRAF1
SCHEMBL9970882 0.80 MAPK14 (0.43) MAPK14BRAFRAF1INSRLCK
SCHEMBL9970919 0.80 LMNA (0.41) 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 7 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
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
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.