SCHEMBL13316451

SCHEMBL13316451

Cc1ccnc(Nc2cc(C)ccc2C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.53
RAPGEF4 Q8WZA2 1/20 0.52
SYK P43405 2/20 0.47
SRC P12931 1/20 0.47
KDR P35968 2/20 0.44
MAP4K4 O95819 1/20 0.44
ABL1 P00519 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
IGF1R P08069 1/20 0.44
LTK P29376 1/20 0.44
MAP2K2 P36507 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
CLK2 P49760 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
CDK5 Q00535 1/20 0.44

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
SCHEMBL13316450 0.86 KARS1 (0.50) MAPK10RAPGEF4SYKKDRMAP4K4
SCHEMBL2912518 0.82 KDR (0.57) SYKKDRMAP4K4ABL1LCK
SCHEMBL13316448 0.80 ALDH1A1 (0.56) MEN1KMT2AALDH1A1L3MBTL1GAA
SCHEMBL5388892 0.78 MAPK14 (0.46) MAPK10RAPGEF4SYKSRCLCK
SCHEMBL21514810 0.78 RAPGEF4 (0.52) RAPGEF4SYKSRCKDRMEN1
SCHEMBL29196035 0.77 RAPGEF4 (0.71) RAPGEF4MEN1KMT2AKDM4EALDH1A1
SCHEMBL21281905 0.77 MAPK10 (0.50) MAPK10RAPGEF4SYKKDRMAP4K4
SCHEMBL14954692 0.76 RAPGEF4 (0.52) RAPGEF4SYKKDRMAP4K4ABL1
SCHEMBL22788051 0.74 SYK (0.48) SYKSRCKDRMAP4K4ABL1
SCHEMBL4941362 0.74 MAPK10 (0.71) MAPK10KDRMAP4K4ABL1LCK

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-7728131-B2 3-difluoromethyl-4-(4-methylpiperazin-1-ylmethyl)-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide, having excellent tyrosine kinase inhibitory activity, used as therapeutic agent for leukemia NIPPON SHINYAKU CO., LTD. (JP) 2010-06-01 US disclosed
US-7494997-B2 Amide derivative NIPPON SHINYAKU CO., LTD. (JP) 2009-02-24 US disclosed
US-20080293940-A1 Amide Derivative and Medicine NIPPON SHINYAKU CO., LTD. (JP) 2008-11-27 US 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-20080293940-A1 Amide Derivative and Medicine ABL2, ABL1, BCR MAPK10 453/4885RAPGEF4 1278/4885SYK 57/4885

“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.