SCHEMBL4069252

SCHEMBL4069252

CSc1nc2ccn(Cc3ccccc3)c(=O)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
GLA P06280 2/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 3/20 0.41
PKM P14618 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK14 Q16539 3/20 0.40
VEGFA P15692 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.39
S1PR2 O95136 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 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
SCHEMBL4065669 0.80 KDM4E (0.44) POLBKDM4EALDH1A1GLAGAA
SCHEMBL15206489 0.72 EGLN1 (0.53) MAPK14EGLN1MAPT
SCHEMBL4068624 0.72 BRAF (0.51) KDM4EALDH1A1GLAGAALMNA
SCHEMBL8353558 0.70 DHFR (0.45) POLBKDM4EALDH1A1GLAGAA
SCHEMBL13911704 0.69 DPP4 (0.46) KDM4EALDH1A1HPGDPKMHSD17B10
SCHEMBL19906460 0.68 ALDH1A1 (0.45) POLBKDM4EALDH1A1GLAGAA
SCHEMBL5841525 0.66 DPP4 (0.45)
SCHEMBL688361 0.66 MAPK14 (0.43) POLBKDM4EALDH1A1GLAGAA
SCHEMBL4068476 0.64 HTR3A (0.62) KDM4EALDH1A1HSD17B10HTT
SCHEMBL1716261 0.64 TYMS (0.60) KDM4EALDH1A1HPGDPKMHSD17B10

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
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
EP-1569936-A1 NOVEL SUBSTITUTED IMIDAZO-PYRIDINONES AND IMIDAZO-PYRIDAZEIONES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2005-09-07 EP 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
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 POLB 3668/4885KDM4E 716/4885ALDH1A1 372/4885

“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.