SCHEMBL3593034

SCHEMBL3593034

Cc1ccc(NC(=O)c2ccnc(C(C)(C)C)c2)cc1Nc1cc(CN2CCOCC2)nn1-c1cc(NCCN2CCOCC2)ncn1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.55
BRAF P15056 9/20 0.47
RAF1 P04049 9/20 0.47
INSR P06213 1/20 0.47
LCK P06239 1/20 0.47
LYN P07948 1/20 0.47
HCK P08631 1/20 0.47
SRC P12931 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL3587204 0.94 RAF1 (0.55) MAPK14BRAFRAF1
SCHEMBL3591475 0.93 MAPK14 (0.57) MAPK14BRAFRAF1INSRLCK
SCHEMBL3593904 0.91 MAPK14 (0.51) MAPK14BRAFRAF1INSRLCK
SCHEMBL3592143 0.91 MAPK14 (0.58) MAPK14BRAFRAF1INSRLCK
SCHEMBL3590031 0.90 MAPK14 (0.55) MAPK14BRAFRAF1INSRLCK
SCHEMBL3596372 0.90 MAPK14 (0.55) MAPK14BRAFRAF1INSRLCK
SCHEMBL3586410 0.90 MAPK14 (0.51) MAPK14BRAFRAF1
SCHEMBL3588520 0.90 MAPK14 (0.54) MAPK14BRAFRAF1
SCHEMBL3595554 0.89 MAPK14 (0.48) MAPK14BRAFRAF1INSRLCK
SCHEMBL3591864 0.89 LCK (0.56) MAPK14BRAFRAF1INSRLCK

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 12 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-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
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 337/4885BRAF 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.