SCHEMBL3873352

SCHEMBL3873352

COc1cccc(Nc2c(C#N)cnc3ccc4ccsc4c23)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.55
RAF1 P04049 5/20 0.52
MAP2K1 Q02750 5/20 0.52
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
CDK1 P06493 1/20 0.48
KDR P35968 1/20 0.48
STK4 Q13043 1/20 0.47
PLK1 P53350 1/20 0.46
EGFR P00533 8/20 0.46
ERBB2 P04626 6/20 0.46
GAK O14976 2/20 0.46
SRC P12931 1/20 0.44

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
SCHEMBL14369457 0.85 PDE4B (0.44) PDE4BGAAMAPTEGFR
SCHEMBL4904273 0.76 PDE4B (0.56) PDE4BRAF1MAP2K1KDM4EGAA
SCHEMBL6380922 0.74 PDE4B (0.71) PDE4BRAF1MAP2K1STK4EGFR
SCHEMBL1893705 0.74 PDE4B (0.71) PDE4BRAF1MAP2K1STK4EGFR
SCHEMBL3873667 0.74 PDE4B (0.58) PDE4BRAF1MAP2K1CDK1KDR
SCHEMBL6382347 0.73 EGFR (0.70) PDE4BRAF1MAP2K1STK4EGFR
Hydrochloric Acid SCHEMBL6381171 0.72 EGFR (0.70) PDE4BRAF1MAP2K1STK4EGFR
SCHEMBL1892801 0.71 EGFR (0.71) PDE4BRAF1MAP2K1STK4EGFR
SCHEMBL6381476 0.70 EGFR (0.75) PDE4BRAF1MAP2K1EGFRERBB2
SCHEMBL6380260 0.70 EGFR (0.77) PDE4BRAF1MAP2K1STK4EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598263-B2 Cyanoquinoline derivatives, their preparation, their use, and medicaments comprising them BAYER SCHERING PHARMA AG (DE) 2009-10-06 US claimed
US-20080108627-A1 CYANOQUINOLINE DERIVATIVES, THEIR PREPARATION, THEIR USE, AND MEDICAMENTS COMPRISING THEM BAYER SCHERING PHARMA AG (DE) 2008-05-08 US claimed
US-7598263-B2 Cyanoquinoline derivatives, their preparation, their use, and medicaments comprising them BAYER SCHERING PHARMA AG (DE) 2009-10-06 US disclosed
US-7598263-B2 Cyanoquinoline derivatives, their preparation, their use, and medicaments comprising them BAYER SCHERING PHARMA AG (DE) 2009-10-06 US disclosed
US-7598263-B2 Cyanoquinoline derivatives, their preparation, their use, and medicaments comprising them BAYER SCHERING PHARMA AG (DE) 2009-10-06 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-20080108627-A1 CYANOQUINOLINE DERIVATIVES, THEIR PREPARATION, THEIR USE, AND MEDICAMENTS COMPRISING THEM RECQL, KCNQ1, KCNQ2 PDE4B 1219/4885RAF1 2464/4885MAP2K1 4704/4885

“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.