SCHEMBL5076357

SCHEMBL5076357

CN1CCN(c2ccc(-c3cn4cccc(C(N)=O)c4n3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.53
CHEK1 O14757 3/20 0.53
PARP1 P09874 1/20 0.46
PIM1 P11309 2/20 0.45
PIM2 Q9P1W9 1/20 0.45
PIM3 Q86V86 1/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
XBP1 P17861 1/20 0.44
KLF5 Q13887 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
JAK2 O60674 2/20 0.43
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
HTR2A P28223 1/20 0.42
CSF1R P07333 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 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
SCHEMBL5074076 0.96 CHEK1 (0.49) DHODHCHEK1PARP1PIM1PIM2
SCHEMBL5074072 0.89 AURKA (0.50) DHODHCHEK1PARP1KDM4ENPC1
SCHEMBL5076308 0.88 DHODH (0.50) DHODHCHEK1KDM4ENPC1RAB9A
SCHEMBL5076409 0.88 DHODH (0.50) DHODHCHEK1KDM4ENPC1RAB9A
SCHEMBL5077332 0.87 AURKA (0.58) DHODHCHEK1KDM4EHTR2AGAA
SCHEMBL5073335 0.87 DHODH (0.53) DHODHPARP1PIM1PIM2PIM3
SCHEMBL5140690 0.85 DHODH (0.47) DHODHCHEK1KDM4EMAPTSMN1; SMN2
SCHEMBL5256363 0.84 CHEK1 (0.47) DHODHCHEK1PIM1PIM2PIM3
SCHEMBL5072047 0.84 AURKA (0.54) DHODHKDM4EHTR2AGAACREBBP
SCHEMBL5076369 0.83 DHODH (0.53) DHODHPARP1KDM4EMAPTHTR2A

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