SCHEMBL16644576

SCHEMBL16644576

Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(CF)c2)cc1C#Cc1cnc2cccnn12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 18/20 0.82
ABL2 P42684 2/20 0.82
KCNH2 Q12809 7/20 0.80
CYP3A4 P08684 6/20 0.80
LCK P06239 2/20 0.80
SRC P12931 2/20 0.80
PDGFRA P16234 2/20 0.80
EPHB2 P29323 2/20 0.80
EPHB3 P54753 2/20 0.80
EPHB4 P54760 2/20 0.80
DDR2 Q16832 2/20 0.80
FGFR1 P11362 2/20 0.80
FGFR2 P21802 2/20 0.80
FGFR4 P22455 2/20 0.80
FGFR3 P22607 2/20 0.80
GAK O14976 1/20 0.80
MLNR O43193 1/20 0.80
RIPK2 O43353 1/20 0.80
JAK2 O60674 1/20 0.80
NR1I2 O75469 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
SCHEMBL15473029 0.97 ABL1 (0.83) ABL1ABL2KCNH2CYP3A4LCK
SCHEMBL21367370 0.93 ABL1 (0.85) ABL1ABL2KCNH2CYP3A4LCK
SCHEMBL13194694 0.91 ABL1 (0.88) ABL1ABL2KCNH2CYP3A4LCK
SCHEMBL591027 0.90 ABL1 (1.00) ABL1ABL2KCNH2CYP3A4LCK
SCHEMBL15242137 0.90 ABL1 (0.85) ABL1ABL2KCNH2CYP3A4LCK
SCHEMBL589689 0.89 ABL1 (1.00) ABL1ABL2KCNH2CYP3A4LCK
SCHEMBL12989619 0.89 ABL1 (1.00) ABL1ABL2KCNH2CYP3A4LCK
Ponatinib SCHEMBL589260 0.89 ABL1 (1.00) ABL1ABL2KCNH2CYP3A4LCK
Ponatinib SCHEMBL29889039 0.89 ABL1 (1.00) ABL1ABL2KCNH2CYP3A4LCK
Ponatinib SCHEMBL29373892 0.89 ABL1 (1.00) ABL1ABL2KCNH2CYP3A4LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases ARIAD PHARMACEUTICALS, INC. 2015-04-16 US 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-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases BRAF, RAF1, NRAS ABL1 75/4885ABL2 231/4885KCNH2 3427/4885

“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.