SCHEMBL3714239

SCHEMBL3714239

COC(=O)c1ccc(CN2CCC(N(C)C)C2)c(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 11/20 0.59
CSK P41240 2/20 0.51
MAPK14 Q16539 2/20 0.51
ABL1 P00519 5/20 0.49
LYN P07948 3/20 0.49
BRAF P15056 3/20 0.49
BCR P11274 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
SCHEMBL17800219 0.94 DDR1 (0.60) DDR1CSKMAPK14BRAFEGFR
SCHEMBL16335541 0.94 DDR1 (0.60) DDR1CSKMAPK14BRAFEGFR
SCHEMBL15859826 0.88 DDR1 (0.59) DDR1CSKMAPK14ABL1LYN
SCHEMBL15859821 0.88 DDR1 (0.59) DDR1CSKMAPK14ABL1LYN
SCHEMBL3567113 0.88 DDR1 (0.59) DDR1CSKMAPK14ABL1LYN
SCHEMBL3558415 0.88 DDR1 (0.59) DDR1CSKMAPK14ABL1LYN
SCHEMBL15948898 0.88 DDR1 (0.59) DDR1CSKMAPK14ABL1LYN
SCHEMBL19986859 0.87 DDR1 (0.63) DDR1CSKMAPK14ABL1LYN
SCHEMBL14704629 0.87 DDR1 (0.63) DDR1CSKMAPK14ABL1LYN
SCHEMBL15382267 0.87 DDR1 (0.63) DDR1CSKMAPK14ABL1LYN

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-2396325-B1 DERIVATIVES OF AZAINDOLES AS INHIBITORS OF PROTEIN KINASES ABL AND SRC ORIBASE PHARMA (FR) 2015-04-01 EP disclosed
US-8580815-B2 Derivatives of azaindoles as inhibitors of protein kinases ABL and SRC ORIBASE PHARMA (FR) 2013-11-12 US disclosed
US-20110312959-A1 Derivatives of Azaindoles as Inhibitors of Protein Kinases ABL and SRC ORIBASE PHARMA (FR) 2011-12-22 US disclosed
EP-2396325-A1 DERIVATIVES OF AZAINDOLES AS INHIBITORS OF PROTEIN KINASES ABL AND SRC OriBase Pharma (FR) 2011-12-21 EP disclosed
WO-2010092489-A1 DERIVATIVES OF AZAINDOLES AS INHIBITORS OF PROTEIN KINASES ABL AND SRC NOVA DECISION (FR) 2010-08-19 WO 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-20110312959-A1 Derivatives of Azaindoles as Inhibitors of Protein Kinases ABL and SRC ABL1, ABL2, SRC DDR1 2779/4885CSK 232/4885MAPK14 167/4885

“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.