SCHEMBL4064905

SCHEMBL4064905

O=c1[nH]ccc2nc(S)[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.34
DYRK1A Q13627 1/20 0.33
CCR8 P51685 1/20 0.33
NPC1 O15118 1/20 0.33
GBA1 P04062 1/20 0.33
KMT2A Q03164 1/20 0.32
JAK2 O60674 1/20 0.31
RPS6KA3 P51812 1/20 0.31
MELK Q14680 1/20 0.31
STK24 Q9Y6E0 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
CRBN Q96SW2 1/20 0.30
ADORA2A P29274 2/20 0.30
ADORA1 P30542 1/20 0.30
CYP1A2 P05177 1/20 0.30
PABPC1 P11940 1/20 0.30
ADORA2B P29275 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL8272445 0.77 PARP1 (0.46) PARP1NPC1KDM4EALDH1A1HPGD
SCHEMBL25890965 0.73 JAK2 (0.47) PARP1JAK2RPS6KA3MELKKDM4E
SCHEMBL7443209 0.73 KDM4E (0.40) PARP1JAK2KDM4EALDH1A1HPGD
SCHEMBL4068105 0.73 XDH (0.41) KMT2AALDH1A1HPGD
SCHEMBL9571510 0.68 PARP1 (0.55) PARP1
SCHEMBL17002552 0.67 KMT2A (0.43) KMT2AKDM4ECYP1A2CYP2C19
SCHEMBL15574565 0.66 NPC1 (0.48) NPC1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL28412208 0.65 PSMD14 (0.33) NPC1KDM4EALDH1A1RAB9AHSD17B10
SCHEMBL906665 0.65 ALDH1A1 (0.52) PARP1DYRK1AALDH1A1
SCHEMBL10921399 0.65 ALDH1A1 (0.57) ALDH1A1

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 PARP1 2323/4885DYRK1A 392/4885CCR8 3114/4885

“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.