SCHEMBL4068624

SCHEMBL4068624

CSc1nc2ccn(Cc3ccccc3)c(=O)c2n1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.51
DHFR P00374 6/20 0.49
NPSR1 Q6W5P4 1/20 0.46
AGTR1 P30556 1/20 0.45
AGTR2 P50052 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 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
SCHEMBL8353558 0.93 DHFR (0.45) BRAFDHFRNPSR1AGTR1AGTR2
SCHEMBL5841525 0.87 DPP4 (0.45) BRAFDHFRNPSR1AGTR1AGTR2
SCHEMBL4066687 0.79 CYP2C19 (0.59) AGTR1AGTR2KDM4EALDH1A1GLA
SCHEMBL5025892 0.77 LMNA (0.66) DHFRALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL4068476 0.74 HTR3A (0.62) KDM4EALDH1A1TSHRHTT
SCHEMBL8353570 0.74 CYP2C19 (0.53) AGTR1AGTR2KDM4EALDH1A1LMNA
SCHEMBL19906460 0.74 ALDH1A1 (0.45) BRAFNPSR1KDM4EALDH1A1GLA
SCHEMBL4069252 0.72 POLB (0.44) KDM4EALDH1A1GLAGAAHTT
SCHEMBL15206489 0.72 EGLN1 (0.53) MAPT
SCHEMBL8349789 0.72 DPP4 (0.56) KDM4EALDH1A1TSHRHTT

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 7 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
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 BRAF 2013/4885DHFR 855/4885NPSR1 1342/4885

“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.