SCHEMBL3568536

SCHEMBL3568536

CCN(CC)Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1Br

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.73
BCR P11274 9/20 0.73
LYN P07948 1/20 0.73
PDGFRA P16234 10/20 0.70
PDGFRB P09619 4/20 0.70
EGFR P00533 1/20 0.68
PRKCA P17252 1/20 0.68
KIT P10721 3/20 0.67
MAPK8 P45983 1/20 0.65
MAPK9 P45984 1/20 0.65
MAPK10 P53779 1/20 0.65
KDR P35968 2/20 0.64
ABL2 P42684 2/20 0.64

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
SCHEMBL19192542 0.94 ABL1 (0.75) ABL1BCRLYNPDGFRAPDGFRB
SCHEMBL3566747 0.92 ABL1 (0.75) ABL1BCRLYNPDGFRAPDGFRB
SCHEMBL4403713 0.89 PDGFRA (0.79) ABL1BCRLYNPDGFRAPDGFRB
SCHEMBL28755616 0.88 ABL1 (0.80) ABL1BCRLYNPDGFRAPDGFRB
SCHEMBL3568761 0.88 ABL1 (0.89) ABL1BCRLYNPDGFRAPDGFRB
Diethylamine SCHEMBL3568539 0.87 PDGFRA (0.74) ABL1BCRLYNPDGFRAPDGFRB
Dimethylamine SCHEMBL3566750 0.87 ABL1 (0.79) ABL1BCRLYNPDGFRAPDGFRB
SCHEMBL13157377 0.87 ABL1 (0.81) ABL1BCRLYNPDGFRAPDGFRB
SCHEMBL3562697 0.86 ABL1 (0.89) ABL1BCRLYNPDGFRAPDGFRB
SCHEMBL3561315 0.85 ABL1 (0.88) ABL1BCRLYNPDGFRAPDGFRB

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 16 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-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.