SCHEMBL630977

SCHEMBL630977

NC(=O)c1cccc2[nH]c([CH]Cc3ccccc3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 18/20 0.56
DHODH Q02127 1/20 0.54
CHEK2 O96017 2/20 0.49
PLK4 O00444 1/20 0.48
MAPK13 O15264 1/20 0.48
DYRK3 O43781 1/20 0.48
ROCK2 O75116 1/20 0.48
RPS6KA5 O75582 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
PIM1 P11309 1/20 0.48
PHKG2 P15735 1/20 0.48
PRKACA P17612 1/20 0.48
RPS6KB1 P23443 1/20 0.48
CSNK1D P48730 1/20 0.48
CLK2 P49760 1/20 0.48
GSK3A P49840 1/20 0.48
PRKX P51817 1/20 0.48
PRKCZ Q05513 1/20 0.48
STK3 Q13188 1/20 0.48

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
SCHEMBL630177 0.89 PARP1 (0.60) PARP1DHODHCHEK2
SCHEMBL6841509 0.77 PARP1 (0.56) PARP1DHODHCHEK2
SCHEMBL29412049 0.76 PARP1 (0.60) PARP1DHODHCHEK2
SCHEMBL6843631 0.74 PARP1 (0.59) PARP1DHODHCHEK2RPS6KB1
SCHEMBL6841126 0.73 PARP1 (0.55) PARP1DHODHCHEK2PLK4MAPK13
SCHEMBL5173995 0.73 RAB9A (0.44) PARP1
SCHEMBL29412034 0.72 PARP1 (1.00) PARP1DHODHCHEK2PLK4MAPK13
SCHEMBL458836 0.72 PARP1 (1.00) PARP1DHODHCHEK2PLK4MAPK13
SCHEMBL5620757 0.72 AURKA (0.67) PARP1AURKB
SCHEMBL1933246 0.71 PARP1 (0.69) PARP1DHODHCHEK2PLK4MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP claimed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US claimed
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP claimed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 WO claimed
US-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US disclosed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 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-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF FKBP1A, FKBP1B, FKBP3 PARP1 3364/4885DHODH 4362/4885CHEK2 4739/4885

“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.