SCHEMBL15907237

SCHEMBL15907237

CN1CCN(Cc2ccc(NC(=O)c3cc(C#N)cc(C#Cc4nnc5ccccn45)c3)cc2C(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.51
FGFR1 P11362 2/20 0.48
KDR P35968 2/20 0.48
RET P07949 2/20 0.47
BCR P11274 1/20 0.46
KIT P10721 4/20 0.46
ABL2 P42684 1/20 0.45

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
SCHEMBL18323193 0.94 ABL1 (0.58) ABL1FGFR1KDRRETBCR
SCHEMBL15907320 0.89 RET (0.46) ABL1FGFR1KDRRETKIT
SCHEMBL15907290 0.88 ABL1 (0.46) ABL1FGFR1KDRRETKIT
SCHEMBL15907248 0.88 ABL1 (0.48) ABL1FGFR1KDRRETKIT
SCHEMBL21843601 0.83 RET (0.70) ABL1FGFR1KDRRETKIT
SCHEMBL18323214 0.82 RET (0.54) ABL1FGFR1KDRRETKIT
SCHEMBL18323206 0.82 ABL1 (0.53) ABL1FGFR1KDRRETKIT
SCHEMBL18323174 0.82 ABL1 (0.55) ABL1FGFR1KDRRETKIT
SCHEMBL15907275 0.81 ABL1 (0.52) ABL1FGFR1KDRRETBCR
SCHEMBL15907303 0.81 KIT (0.46) ABL1FGFR1KDRRETKIT

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 1/4885FGFR1 199/4885KDR 676/4885

“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.