SCHEMBL3563418

SCHEMBL3563418

Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(Br)c2)cc1Nc1nncc(-c2cccnc2)n1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 18/20 0.83
BCR P11274 16/20 0.83
LYN P07948 6/20 0.83
KIT P10721 8/20 0.66
CSF1R P07333 4/20 0.66
PDGFRA P16234 3/20 0.66
PDGFRB P09619 3/20 0.66
EGFR P00533 2/20 0.66
ERBB2 P04626 2/20 0.66
LCK P06239 2/20 0.66
FYN P06241 2/20 0.66
FGR P09769 2/20 0.66
SRC P12931 2/20 0.66
BRAF P15056 2/20 0.66
NQO2 P16083 2/20 0.66
EPHA8 P29322 2/20 0.66
ABL2 P42684 2/20 0.66
FRK P42685 2/20 0.66
BLK P51451 2/20 0.66
DDR1 Q08345 2/20 0.66

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
SCHEMBL3563459 0.91 ABL1 (1.00) ABL1BCRLYNKITCSF1R
SCHEMBL3561623 0.89 ABL1 (0.78) ABL1BCRLYNKITCSF1R
SCHEMBL3570228 0.88 ABL1 (0.95) ABL1BCRLYNKITCSF1R
SCHEMBL3572171 0.87 ABL1 (0.81) ABL1BCRLYNKITCSF1R
SCHEMBL3560777 0.86 ABL1 (0.77) ABL1BCRLYNKITCSF1R
SCHEMBL3570623 0.86 ABL1 (0.77) ABL1BCRLYNKITCSF1R
SCHEMBL716627 0.86 ABL1 (0.80) ABL1BCRLYNKITCSF1R
SCHEMBL3559639 0.85 ABL1 (0.89) ABL1BCRLYNKITCSF1R
SCHEMBL3568761 0.85 ABL1 (0.89) ABL1BCRLYNKITCSF1R
SCHEMBL3559791 0.85 ABL1 (0.79) ABL1BCRLYNKITCSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1533304-B1 AMIDE DERIVATIVE NIPPON SHINYAKU CO LTD (JP) 2009-11-04 EP claimed
US-7494997-B2 Amide derivative NIPPON SHINYAKU CO., LTD. (JP) 2009-02-24 US claimed
US-20060014742-A1 Amide derivative NIPPON SHINYAKU CO., LTD. (JP) 2006-01-19 US claimed
EP-1533304-A1 AMIDE DERIVATIVE Nippon Shinyaku Co., Ltd. (JP) 2005-05-25 EP claimed
EP-3299358-A1 AMIDE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2018-03-28 EP disclosed
EP-1702917-B1 AMIDE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2017-08-02 EP disclosed
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-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-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
EP-1533304-B1 AMIDE DERIVATIVE NIPPON SHINYAKU CO LTD (JP) 2009-11-04 EP 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
US-20080293940-A1 Amide Derivative and Medicine NIPPON SHINYAKU CO., LTD. (JP) 2008-11-27 US disclosed
US-20080293940-A1 Amide Derivative and Medicine NIPPON SHINYAKU CO., LTD. (JP) 2008-11-27 US disclosed
EP-1702917-A1 AMIDE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2006-09-20 EP disclosed
US-20060014742-A1 Amide derivative NIPPON SHINYAKU CO., LTD. (JP) 2006-01-19 US disclosed
EP-1533304-A1 AMIDE DERIVATIVE Nippon Shinyaku Co., Ltd. (JP) 2005-05-25 EP 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 (2 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-20060014742-A1 Amide derivative ABL1, ABL2, BCR ABL1 1/4885BCR 3/4885LYN 22/4885
US-20080293940-A1 Amide Derivative and Medicine ABL2, ABL1, BCR ABL1 2/4885BCR 3/4885LYN 18/4885

“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.