SCHEMBL6344842

SCHEMBL6344842

Cc1nn(-c2ccccn2)c2[nH]c3cc(Cl)ccc3c(=O)c12

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.43
PIK3CD O00329 1/20 0.43
PLK4 O00444 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
AURKB Q96GD4 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MAT2A P31153 2/20 0.41

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
SCHEMBL6342646 0.91 ALDH1A1 (0.48) SPRPIK3CDPLK4MAPK8MAPK9
SCHEMBL6344363 0.88 MAPT (0.43) PIK3CDMAPK8AURKBCLK4
SCHEMBL6342655 0.88 SPR (0.43) SPR
SCHEMBL6343219 0.88 L3MBTL1 (0.40) SPR
SCHEMBL6339985 0.87 L3MBTL1 (0.43)
SCHEMBL6345178 0.85 DYRK1A (0.45) SPR
SCHEMBL6342685 0.84 L3MBTL1 (0.41) SPR
SCHEMBL6353321 0.84 PTGS2 (0.48)
SCHEMBL6341840 0.84 ALDH1A1 (0.40)
SCHEMBL6344518 0.84 ALDH1A1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949648-B2 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-27 US disclosed
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 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-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof PTGS1, PTGIS, IL5 SPR 1579/4885PIK3CD 1404/4885PLK4 1976/4885

“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.