SCHEMBL15907175

SCHEMBL15907175

C#Cc1cc(C#N)cc(C(=O)Nc2cncnc2OC)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
GPR6 P46095 2/20 0.38
GRM5 P41594 4/20 0.37
ATR Q13535 1/20 0.37
RORC P51449 1/20 0.37
EGFR P00533 1/20 0.36
ALPL P05186 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
SCHEMBL15907191 0.83 EGFR (0.43) GSK3AGSK3BGRM5EGFR
SCHEMBL15907213 0.80 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DGPR6
SCHEMBL15907268 0.76 CSF1R (0.37) GSK3AGSK3BGPR6GRM5
SCHEMBL15907192 0.76 KIT (0.44) GSK3AGSK3BEGFR
SCHEMBL18323125 0.75 EGFR (0.44) GSK3AGSK3BEGFR
SCHEMBL15907285 0.74 GPR6 (0.36) GPR6
SCHEMBL15907193 0.73 ATR (0.36) PDE4APDE4BPDE4CPDE4DGSK3A
SCHEMBL30421445 0.69 ATR (0.40) ATRRORC
SCHEMBL15907187 0.67 ATR (0.36) PDE4APDE4BPDE4CPDE4DGSK3A
SCHEMBL19150883 0.67 HTT (0.45) ATRRORCEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522910-B2 Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) 2016-12-20 US disclosed
US-9522910-B2 Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) 2016-12-20 US disclosed
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 PDE4A 2428/4885PDE4B 2962/4885PDE4C 2539/4885

“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.