SCHEMBL5072047

SCHEMBL5072047

CCCCN1CCCN(c2ccc(-c3cn4cccc(C(N)=O)c4n3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.54
AURKB Q96GD4 2/20 0.54
HRH3 Q9Y5N1 5/20 0.45
DHODH Q02127 1/20 0.43
HTR2A P28223 3/20 0.43
DRD3 P35462 6/20 0.41
DRD2 P14416 5/20 0.41
HTR1A P08908 2/20 0.41
CREBBP Q92793 1/20 0.41
MT-CO2 P00403 1/20 0.39
SLC6A4 P31645 2/20 0.39
HTR7 P34969 2/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL5077332 0.96 AURKA (0.58) AURKAAURKBHRH3DHODHHTR2A
SCHEMBL5140690 0.91 DHODH (0.47) AURKAAURKBHRH3DHODHHTR2A
SCHEMBL5074072 0.91 AURKA (0.50) AURKAAURKBHRH3DHODHHTR2A
SCHEMBL5253308 0.87 HRH3 (0.45) AURKAAURKBHRH3HTR2ADRD3
SCHEMBL5076308 0.87 DHODH (0.50) AURKAAURKBHRH3DHODHHTR2A
SCHEMBL5074076 0.86 CHEK1 (0.49) HRH3DHODHHTR2ACREBBPKDM4E
SCHEMBL5077273 0.85 DHODH (0.49) AURKAAURKBDHODHHTR2AKDM4E
SCHEMBL5076357 0.84 DHODH (0.53) HRH3DHODHHTR2ACREBBPKDM4E
SCHEMBL5251170 0.83 DRD2 (0.47) AURKAAURKBHRH3HTR2ADRD3
SCHEMBL5076369 0.81 DHODH (0.53) AURKAAURKBDHODHHTR2AHTR7

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 AURKA 3231/4885AURKB 2091/4885HRH3 625/4885
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors PARP1, PARP2, PARP11 AURKA 1972/4885AURKB 1525/4885HRH3 174/4885

“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.