SCHEMBL5072007

SCHEMBL5072007

NC(=O)c1cccn2cc(-c3ccc(NCCN4CCCC4)cc3)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.61
DHODH Q02127 1/20 0.48
HTR2A P28223 1/20 0.47
PIM1 P11309 1/20 0.44
FLT3 P36888 1/20 0.44
PIM3 Q86V86 1/20 0.44
BRSK1 Q8TDC3 1/20 0.44
AURKB Q96GD4 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PARP1 P09874 2/20 0.40
TNIK Q9UKE5 1/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 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
SCHEMBL5074317 0.99 HRH3 (0.62) HRH3DHODHHTR2APIM1FLT3
SCHEMBL5077410 0.94 HRH3 (0.69) HRH3DHODHHTR2AKDM4EALDH1A1
SCHEMBL5073451 0.93 HRH3 (0.71) HRH3DHODHHTR2AADRA2AADRA2B
SCHEMBL5251145 0.85 HRH3 (0.58) HRH3DHODHHTR2AKDM4EALDH1A1
SCHEMBL5250172 0.85 HRH3 (0.59) HRH3DHODHHTR2AKDM4EALDH1A1
SCHEMBL5259826 0.82 HRH3 (0.86) HRH3KDM4EALDH1A1KMT2AMEN1
SCHEMBL5074326 0.82 HRH3 (0.62) HRH3DHODHPARP1ADORA3ADORA2A
SCHEMBL5073323 0.82 DHODH (0.50) HRH3DHODHHTR2AKDM4EALDH1A1
SCHEMBL5259092 0.81 HRH3 (0.88) HRH3KDM4EALDH1A1KMT2AMEN1
SCHEMBL5074314 0.81 HRH3 (0.63) HRH3DHODHPARP1ADORA3ADORA2A

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 HRH3 625/4885DHODH 4220/4885HTR2A 683/4885
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors PARP1, PARP2, PARP11 HRH3 174/4885DHODH 1990/4885HTR2A 747/4885

“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.