SCHEMBL3561830

SCHEMBL3561830

Cc1ccc(NC(=O)c2ccc(CN3CCOCC3)c(Br)c2)cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 19/20 0.85
BCR P11274 18/20 0.85
LYN P07948 4/20 0.85
PDGFRA P16234 7/20 0.68
KIT P10721 6/20 0.68
PDGFRB P09619 5/20 0.68
EGFR P00533 2/20 0.68
PLK4 O00444 1/20 0.68
DDX3X O00571 1/20 0.68
GAK O14976 1/20 0.68
SLC22A2 O15244 1/20 0.68
MAPK13 O15264 1/20 0.68
CA12 O43570 1/20 0.68
SLC22A3 O75751 1/20 0.68
ABCB11 O95342 1/20 0.68
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
LMNA P02545 1/20 0.68
ALB P02768 1/20 0.68
RAF1 P04049 1/20 0.68

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
SCHEMBL3562697 0.94 ABL1 (0.89) ABL1BCRLYNPDGFRAKIT
SCHEMBL3561315 0.93 ABL1 (0.88) ABL1BCRLYNPDGFRAKIT
SCHEMBL3568761 0.92 ABL1 (0.89) ABL1BCRLYNPDGFRAKIT
SCHEMBL3563459 0.92 ABL1 (1.00) ABL1BCRLYNPDGFRAKIT
SCHEMBL3559639 0.91 ABL1 (0.89) ABL1BCRLYNPDGFRAKIT
SCHEMBL14000461 0.90 ABL1 (0.86) ABL1BCRLYNPDGFRAKIT
SCHEMBL3570228 0.90 ABL1 (0.95) ABL1BCRLYNPDGFRAKIT
SCHEMBL4397420 0.89 ABL1 (0.84) ABL1BCRLYNPDGFRAKIT
SCHEMBL28755616 0.88 ABL1 (0.80) ABL1BCRLYNPDGFRAKIT
SCHEMBL3555151 0.88 ABL1 (0.79) ABL1BCRLYNPDGFRAKIT

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 20 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
CN-1678590-A Amide derivative and pharmaceutical NIPPON SHINYAKU CO LTD (JP) 2005-10-05 CN 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
CN-100343237-C Amide derivative and medicine NIPPON SHINYAKU CO LTD (JP) 2007-10-17 CN disclosed
CN-1898208-A Amide derivative and pharmaceutical NIPPON SHINYAKU CO LTD (JP) 2007-01-17 CN 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
CN-1678590-A Amide derivative and pharmaceutical NIPPON SHINYAKU CO LTD (JP) 2005-10-05 CN 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.