SCHEMBL15907254

SCHEMBL15907254

COc1nnc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(C)(C)C)c2)cc1C#Cc1nnc2ccccn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 16/20 0.49
ABL2 P42684 3/20 0.44
FGFR1 P11362 3/20 0.43
DDR1 Q08345 2/20 0.43
DDR2 Q16832 2/20 0.43
KIT P10721 3/20 0.42
BCR P11274 2/20 0.42
KDR P35968 2/20 0.42
GAK O14976 1/20 0.42
MLNR O43193 1/20 0.42
RIPK2 O43353 1/20 0.42
JAK2 O60674 1/20 0.42
NR1I2 O75469 1/20 0.42
ABCB11 O95342 1/20 0.42
MAP4K4 O95819 1/20 0.42
EGFR P00533 1/20 0.42
NR3C1 P04150 1/20 0.42
ERBB2 P04626 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42

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
SCHEMBL18323133 0.94 ABL1 (0.57) ABL1ABL2FGFR1DDR1DDR2
SCHEMBL15907229 0.83 KIT (0.52) ABL1ABL2FGFR1KITKDR
SCHEMBL15907247 0.78 NPC1 (0.40) ABL1KDRJAK2MAP4K4CSF1R
SCHEMBL15907250 0.78 NPC1 (0.37)
SCHEMBL18323158 0.77 KIT (0.62) ABL1FGFR1KITKDREGFR
Vamotinib SCHEMBL29441255 0.76 ABL1 (0.80) ABL1ABL2FGFR1DDR1DDR2
SCHEMBL14306277 0.76 FGFR1 (0.69) ABL1FGFR1KITKDRCSF1R
Vamotinib SCHEMBL15789568 0.76 ABL1 (0.80) ABL1ABL2FGFR1DDR1DDR2
SCHEMBL15907237 0.76 ABL1 (0.51) ABL1ABL2FGFR1KITBCR
SCHEMBL15907297 0.75 KIT (0.43) ABL1FGFR1DDR1KITKDR

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-20140213592-A1 Protein Kinase Inhibitors (Variants), Use Thereof in Treating Oncological Diseases and a Pharmaceutical Composition Based Thereon OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU "FUSION PHARMA" (RU) 2014-07-31 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-20140213592-A1 Protein Kinase Inhibitors (Variants), Use Thereof in Treating Oncological Diseases and a Pharmaceutical Composition Based Thereon ABL1, ABL2, MAP3K6 ABL1 1/4885ABL2 2/4885FGFR1 199/4885

“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.