SCHEMBL3558396

SCHEMBL3558396

Cc1ccc(NC(=O)c2ccc(CN3CCN(C)C(C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 19/20 0.84
BCR P11274 12/20 0.84
LYN P07948 9/20 0.84
PDGFRB P09619 2/20 0.80
RIPK2 O43353 1/20 0.80
LCK P06239 1/20 0.80
FYN P06241 1/20 0.80
RET P07949 1/20 0.80
ARAF P10398 1/20 0.80
BRAF P15056 1/20 0.80
NQO2 P16083 1/20 0.80
EPHA2 P29317 1/20 0.80
EPHB2 P29323 1/20 0.80
CSK P41240 1/20 0.80
ABL2 P42684 1/20 0.80
FRK P42685 1/20 0.80
MAPKAPK2 P49137 1/20 0.80
IRAK1 P51617 1/20 0.80
EPHB3 P54753 1/20 0.80
EPHA5 P54756 1/20 0.80

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
SCHEMBL3558392 1.00 ABL1 (0.84) ABL1BCRLYNPDGFRBRIPK2
SCHEMBL3562812 1.00 ABL1 (0.84) ABL1BCRLYNPDGFRBRIPK2
Hydrochloric Acid SCHEMBL3565484 0.99 ABL1 (0.83) ABL1BCRLYNPDGFRBRIPK2
Hydrochloric Acid SCHEMBL3565478 0.99 ABL1 (0.83) ABL1BCRLYNPDGFRBRIPK2
Hydrochloric Acid SCHEMBL3570054 0.99 ABL1 (0.83) ABL1BCRLYNPDGFRBRIPK2
SCHEMBL3557479 0.92 ABL1 (0.81) ABL1BCRLYNPDGFRBRIPK2
SCHEMBL3561413 0.91 ABL1 (1.00) ABL1BCRLYNPDGFRBRIPK2
Hydrochloric Acid SCHEMBL3568239 0.91 ABL1 (0.80) ABL1BCRLYNPDGFRBRIPK2
Hydrochloric Acid SCHEMBL3565463 0.91 ABL1 (0.99) ABL1BCRLYNPDGFRBRIPK2
SCHEMBL3559255 0.90 ABL1 (0.79) ABL1BCRLYNPDGFRBRIPK2

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.