SCHEMBL5074076

SCHEMBL5074076

CN1CCCN(c2ccc(-c3cn4cccc(C(N)=O)c4n3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.49
DHODH Q02127 1/20 0.49
PARP1 P09874 1/20 0.43
CREBBP Q92793 1/20 0.43
PIM1 P11309 2/20 0.42
PIM2 Q9P1W9 1/20 0.42
PIM3 Q86V86 1/20 0.42
JAK2 O60674 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
RAB9A P51151 1/20 0.41
KLF5 Q13887 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SYK P43405 1/20 0.40
HTR2A P28223 1/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL5076357 0.96 DHODH (0.53) CHEK1DHODHPARP1CREBBPPIM1
SCHEMBL5140690 0.87 DHODH (0.47) CHEK1DHODHCREBBPHRH3KDM4E
SCHEMBL5072047 0.86 AURKA (0.54) DHODHCREBBPHRH3KDM4EHTR2A
SCHEMBL5248611 0.85 CHEK1 (0.44) CHEK1DHODHCREBBPPIM1PIM2
SCHEMBL5074072 0.85 AURKA (0.50) CHEK1DHODHPARP1HRH3KDM4E
SCHEMBL5076308 0.84 DHODH (0.50) CHEK1DHODHCREBBPHRH3KDM4E
SCHEMBL5076409 0.84 DHODH (0.50) CHEK1DHODHCREBBPHRH3KDM4E
SCHEMBL5073422 0.84 DHODH (0.49) DHODHPARP1CREBBPPIM1PIM2
SCHEMBL5077332 0.83 AURKA (0.58) CHEK1DHODHHRH3KDM4EHTR2A
SCHEMBL5073335 0.83 DHODH (0.53) DHODHPARP1PIM1PIM2PIM3

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 CHEK1 582/4885DHODH 4220/4885PARP1 1/4885
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors PARP1, PARP2, PARP11 CHEK1 23/4885DHODH 1990/4885PARP1 1/4885

“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.