SCHEMBL15907281

SCHEMBL15907281

COc1ncncc1NC(=O)c1ccc(C)c(C#Cc2nnc3c(C(=O)O)cccn23)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIT P10721 8/20 0.44
DDR1 Q08345 7/20 0.44
CSF1R P07333 10/20 0.40
ABL1 P00519 1/20 0.37
CHEK1 O14757 1/20 0.37
PIM1 P11309 1/20 0.37
MAPK8 P45983 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DDR2 Q16832 1/20 0.36

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
SCHEMBL18323140 0.92 CHEK1 (0.36) KITDDR1CSF1RCHEK1PIM1
SCHEMBL15907282 0.87 CHEK1 (0.38) KITDDR1CSF1RCHEK1PIM1
SCHEMBL15907285 0.84 GPR6 (0.36) DDR1CHEK1PIM1MAPK8CLK4
SCHEMBL15907289 0.79 CSF1R (0.43) KITDDR1CSF1RABL1DDR2
SCHEMBL15907284 0.79 MAP3K5 (0.32)
SCHEMBL15907288 0.75 SMO (0.41) KITDDR1ABL1
SCHEMBL15907192 0.74 KIT (0.44) KITDDR1CSF1R
SCHEMBL15907292 0.73 GPR6 (0.38)
SCHEMBL15907240 0.72 NPC1 (0.42) KITDDR1CSF1RABL1
SCHEMBL18323617 0.71 MAP3K5 (0.34)

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 KIT 577/4885DDR1 2472/4885CSF1R 1848/4885

“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.