SCHEMBL4257557

SCHEMBL4257557

Cc1ccc(NC(=O)c2cc(C(C)(C)C)nn2C)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.55
INSR P06213 1/20 0.53
LCK P06239 1/20 0.53
LYN P07948 1/20 0.53
HCK P08631 1/20 0.53
SRC P12931 1/20 0.53
KDR P35968 1/20 0.53
KDM4E B2RXH2 2/20 0.49
GRN P28799 1/20 0.49
SORT1 Q99523 1/20 0.49
BRAF P15056 6/20 0.49
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4257553 0.86 INSR (0.49) AAK1INSRLCKLYNHCK
SCHEMBL2951675 0.83 LCK (0.57) AAK1INSRLCKLYNHCK
SCHEMBL17936110 0.82 BRAF (0.47) AAK1INSRLCKLYNHCK
SCHEMBL1900620 0.81 MAPK14 (0.59) AAK1KDM4EGRNSORT1BRAF
SCHEMBL1897017 0.80 BRAF (0.58) AAK1KDM4EGRNSORT1BRAF
SCHEMBL1903709 0.80 MAPT (0.68) KDM4EGRNSORT1BRAFNPSR1
SCHEMBL1903600 0.79 KDM4E (0.60) AAK1KDM4EGRNSORT1BRAF
SCHEMBL4425426 0.78 NPSR1 (0.59) AAK1KDM4EGRNSORT1NPSR1
SCHEMBL6059993 0.78 POLB (0.58) AAK1KDM4EGRNSORT1NPSR1
SCHEMBL5491993 0.77 LCK (0.61) AAK1INSRLCKLYNHCK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-23 US claimed
EP-1841431-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-10-10 EP claimed
WO-2006081172-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-08-03 WO claimed
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-23 US disclosed
EP-1841431-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-10-10 EP disclosed
WO-2006081172-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-08-03 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-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ABL1, BCR, PDGFRB AAK1 416/4885INSR 1466/4885LCK 56/4885

“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.