SCHEMBL3562689

SCHEMBL3562689

Cc1ccc(N)cc1Nc1cc(-c2cncnc2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 6/20 0.54
ABL1 P00519 8/20 0.51
BCR P11274 2/20 0.51
LCK P06239 1/20 0.37
RIPK2 O43353 1/20 0.36
RET P07949 1/20 0.36
KDR P35968 1/20 0.36
MAPK14 Q16539 1/20 0.36
KARS1 Q15046 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
WNT3A P56704 1/20 0.35

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
SCHEMBL2924553 0.87 ABL1 (0.64) MAPK10ABL1BCRRIPK2RET
SCHEMBL3564824 0.83 ABL1 (0.49) ABL1BCR
SCHEMBL14705593 0.81 ABL1 (0.55) ABL1BCRLCKKDR
SCHEMBL3554974 0.79 ALDH1A1 (0.48) MAPK10ABL1
SCHEMBL13316450 0.79 KARS1 (0.50) MAPK10ABL1BCRLCKKDR
SCHEMBL2575958 0.77 ABL1 (0.78) ABL1BCRLCK
SCHEMBL3565337 0.76 ABL1 (0.66) ABL1BCRKARS1
SCHEMBL26778048 0.75 ABL1 (0.45) ABL1BCRLCK
SCHEMBL22793758 0.71 ABL1 (0.70) ABL1BCRRIPK2RETKDR
SCHEMBL1518724 0.70 MAPK10 (1.00) MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 MAPK10 441/4885ABL1 1/4885BCR 3/4885
US-20080293940-A1 Amide Derivative and Medicine ABL2, ABL1, BCR MAPK10 453/4885ABL1 2/4885BCR 3/4885

“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.