SCHEMBL5076308

SCHEMBL5076308

CCN1CCN(c2ccc(-c3cn4cccc(C(N)=O)c4n3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.50
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
HTR2A P28223 1/20 0.44
SYK P43405 1/20 0.44
GNRHR P30968 3/20 0.42
HRH3 Q9Y5N1 1/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
RAD52 P43351 1/20 0.40
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.40
CHEK1 O14757 1/20 0.40
CREBBP Q92793 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5140690 0.96 DHODH (0.47) DHODHAURKAAURKBHTR2ASYK
SCHEMBL5074072 0.92 AURKA (0.50) DHODHAURKAAURKBHTR2AHRH3
SCHEMBL5077332 0.90 AURKA (0.58) DHODHAURKAAURKBHTR2AHRH3
SCHEMBL5076357 0.88 DHODH (0.53) DHODHHTR2AHRH3GAAKDM4E
SCHEMBL5076369 0.87 DHODH (0.53) DHODHAURKAAURKBHTR2AGNRHR
SCHEMBL5072047 0.87 AURKA (0.54) DHODHAURKAAURKBHTR2AHRH3
SCHEMBL5076409 0.85 DHODH (0.50) DHODHHRH3GAAKDM4EMAPT
SCHEMBL5251237 0.85 GNRHR (0.44) DHODHHTR2ASYKGNRHRHRH3
SCHEMBL5074076 0.84 CHEK1 (0.49) DHODHHTR2ASYKHRH3KDM4E
SCHEMBL5073335 0.84 DHODH (0.53) DHODH

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
WO-2008154129-A1 PHARMACEUTICAL COMPOSITIONS AND METHOD FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR PREVENTING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-12-18 WO claimed
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 US claimed
WO-2008154129-A1 PHARMACEUTICAL COMPOSITIONS AND METHOD FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR PREVENTING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-12-18 WO disclosed
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 US disclosed
US-7041675-B2 Heterocyclic compounds and their use as PARP inhibitors ABBOTT GMBH & CO. KG (DE) 2006-05-09 US disclosed
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-07-17 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 (2 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-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye PARP1, PARP2, PARP12 DHODH 4220/4885AURKA 3231/4885AURKB 2091/4885
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors PARP1, PARP2, PARP11 DHODH 1990/4885AURKA 1972/4885AURKB 1525/4885

“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.