SCHEMBL3558415

SCHEMBL3558415

CN(C)[C@@H]1CCN(Cc2ccc(C(=O)O)cc2C(F)(F)F)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 9/20 0.59
ABL1 P00519 7/20 0.49
BCR P11274 4/20 0.49
LYN P07948 3/20 0.49
BRAF P15056 3/20 0.49
CSK P41240 2/20 0.49
MAPK14 Q16539 2/20 0.49
RIPK2 O43353 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
RET P07949 1/20 0.49
PDGFRB P09619 1/20 0.49
ARAF P10398 1/20 0.49
NQO2 P16083 1/20 0.49
EPHA2 P29317 1/20 0.49
EPHB2 P29323 1/20 0.49
ABL2 P42684 1/20 0.49
FRK P42685 1/20 0.49
MAPKAPK2 P49137 1/20 0.49
IRAK1 P51617 1/20 0.49

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
SCHEMBL15859821 1.00 DDR1 (0.59) DDR1ABL1BCRLYNBRAF
SCHEMBL3567113 1.00 DDR1 (0.59) DDR1ABL1BCRLYNBRAF
SCHEMBL15859826 1.00 DDR1 (0.59) DDR1ABL1BCRLYNBRAF
SCHEMBL16340266 0.93 DDR1 (0.60) DDR1BRAFEGFR
SCHEMBL16340264 0.93 DDR1 (0.60) DDR1BRAFEGFR
SCHEMBL15948898 0.91 DDR1 (0.59) DDR1ABL1BCRLYNBRAF
SCHEMBL31003570 0.90 DDR1 (0.60) DDR1ABL1BCRLYNBRAF
SCHEMBL16380767 0.90 DDR1 (0.58) DDR1ABL1BCRLYNBRAF
SCHEMBL3633887 0.90 DDR1 (0.58) DDR1ABL1BCRLYNBRAF
SCHEMBL20195929 0.89 DDR1 (0.49) DDR1ABL1BCRLYNBRAF

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 5 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
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 DDR1 953/4885ABL1 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.