SCHEMBL3564937

SCHEMBL3564937

Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)c(Br)c2)cc1Nc1nccc(-c2cncnc2)n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 20/20 0.75
BCR P11274 15/20 0.75
LYN P07948 8/20 0.75
KIT P10721 5/20 0.70
LRRK2 Q5S007 1/20 0.70
ABL2 P42684 4/20 0.66
LCK P06239 2/20 0.63
FYN P06241 2/20 0.63
PDGFRB P09619 2/20 0.63
BRAF P15056 2/20 0.63
NQO2 P16083 2/20 0.63
FRK P42685 2/20 0.63
IRAK1 P51617 2/20 0.63
DDR1 Q08345 2/20 0.63
MAPK11 Q15759 2/20 0.63
MAPK14 Q16539 2/20 0.63
DDR2 Q16832 2/20 0.63
PIP4K2C Q8TBX8 2/20 0.63
MAP3K20 Q9NYL2 2/20 0.63
RIPK2 O43353 1/20 0.63

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
SCHEMBL3564081 0.92 ABL1 (0.88) ABL1BCRLYNKITABL2
Hydrochloric Acid SCHEMBL3562376 0.91 ABL1 (0.87) ABL1BCRLYNKITABL2
SCHEMBL3560129 0.90 ABL1 (0.86) ABL1BCRLYNKITLRRK2
SCHEMBL4278597 0.87 ABL1 (0.71) ABL1BCRLYNKITABL2
Trifluoroacetic Acid SCHEMBL3569698 0.87 ABL1 (0.82) ABL1BCRLYNKITLRRK2
SCHEMBL3562697 0.87 ABL1 (0.89) ABL1BCRLYNKITLRRK2
SCHEMBL3561315 0.86 ABL1 (0.88) ABL1BCRLYNKITLRRK2
SCHEMBL3563459 0.86 ABL1 (1.00) ABL1BCRLYNKITLRRK2
SCHEMBL3568761 0.86 ABL1 (0.89) ABL1BCRLYNKITLRRK2
SCHEMBL3560990 0.85 ABL1 (0.85) ABL1BCRLYNKITABL2

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 22 patents — showing the first 20. 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
CN-100343237-C Amide derivative and medicine NIPPON SHINYAKU CO LTD (JP) 2007-10-17 CN 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
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.