SCHEMBL4068476

SCHEMBL4068476

O=c1c2c(ccn1Cc1ccccc1)nc(N1CCNCC1)n2Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.62
DPP4 P27487 4/20 0.59
SOS1 Q07889 1/20 0.57
PIM1 P11309 1/20 0.56
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL8352617 0.96 HTR3A (0.58) HTR3ADPP4SOS1PIM1
SCHEMBL8349789 0.83 DPP4 (0.56) DPP4KDM4EALDH1A1TSHRHTT
SCHEMBL13217754 0.82 HTR3A (0.57) HTR3ADPP4SOS1ALDH1A1HSD17B10
SCHEMBL13200999 0.81 HTR3A (0.62) HTR3ADPP4SOS1PIM1
SCHEMBL8353852 0.80 DPP4 (0.63) DPP4
SCHEMBL8352589 0.80 HTR3A (0.61) HTR3ADPP4SOS1PIM1
SCHEMBL13200858 0.79 DPP4 (0.63) HTR3ADPP4SOS1PIM1
SCHEMBL8351230 0.79 DPP4 (0.50) DPP4KDM4EALDH1A1TSHRHTT
SCHEMBL6380045 0.78 DPP4 (0.61) HTR3ADPP4
SCHEMBL13200852 0.78 HTR3A (0.61) HTR3ADPP4SOS1PIM1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569936-B1 NOVEL SUBSTITUTED IMIDAZO-PYRIDINONES AND IMIDAZO-PYRIDAZEIONES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2009-03-18 EP disclosed
EP-1569936-B1 NOVEL SUBSTITUTED IMIDAZO-PYRIDINONES AND IMIDAZO-PYRIDAZEIONES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2009-03-18 EP disclosed
US-7109192-B2 Substituted imidazo-pyridinones and imidazo-pyridazinones, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2006-09-19 US disclosed
US-20050020574-A1 New substituted imidazo-pyridinones and imidazo-pyridazinones, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH CO. KG (DE) 2005-01-27 US disclosed
WO-2004050658-A1 NOVEL SUBSTITUTED IMIDAZO-PYRIDINONES AND IMIDAZO-PYRIDAZEIONES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-17 WO 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 (1 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-20050020574-A1 New substituted imidazo-pyridinones and imidazo-pyridazinones, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 HTR3A 633/4885DPP4 1/4885SOS1 4409/4885

“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.