SCHEMBL3566283

SCHEMBL3566283

Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncc(Br)c2)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 20/20 0.73
BCR P11274 14/20 0.73
LYN P07948 7/20 0.73
ABL2 P42684 3/20 0.67
PDGFRB P09619 2/20 0.67
RIPK2 O43353 1/20 0.67
LCK P06239 1/20 0.67
FYN P06241 1/20 0.67
RET P07949 1/20 0.67
ARAF P10398 1/20 0.67
BRAF P15056 1/20 0.67
NQO2 P16083 1/20 0.67
EPHA2 P29317 1/20 0.67
EPHB2 P29323 1/20 0.67
CSK P41240 1/20 0.67
FRK P42685 1/20 0.67
MAPKAPK2 P49137 1/20 0.67
IRAK1 P51617 1/20 0.67
EPHB3 P54753 1/20 0.67
EPHA5 P54756 1/20 0.67

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
Hydrochloric Acid SCHEMBL3568932 0.99 ABL1 (0.72) ABL1BCRLYNABL2PDGFRB
SCHEMBL3562195 0.93 ABL1 (0.85) ABL1BCRLYNABL2PDGFRB
SCHEMBL3564696 0.93 ABL1 (0.76) ABL1BCRLYNABL2PDGFRB
Hydrochloric Acid SCHEMBL3559181 0.92 ABL1 (0.84) ABL1BCRLYNABL2PDGFRB
Hydrochloric Acid SCHEMBL3564299 0.92 ABL1 (0.75) ABL1BCRLYNABL2PDGFRB
SCHEMBL3560129 0.92 ABL1 (0.86) ABL1BCRLYNABL2PDGFRB
Hydrochloric Acid SCHEMBL27843288 0.92 ABL1 (0.61) ABL1BCRLYNABL2PDGFRB
Trifluoroacetic Acid SCHEMBL3569698 0.90 ABL1 (0.82) ABL1BCRLYNABL2PDGFRB
SCHEMBL3567855 0.89 ABL1 (0.70) ABL1BCRLYNABL2PDGFRB
SCHEMBL18169483 0.88 ABL1 (0.82) ABL1BCRLYNABL2PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1702917-B1 AMIDE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2017-08-02 EP claimed
US-20080293940-A1 Amide Derivative and Medicine NIPPON SHINYAKU CO., LTD. (JP) 2008-11-27 US claimed
EP-1702917-A1 AMIDE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2006-09-20 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
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

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 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.