SCHEMBL243134

SCHEMBL243134

Nc1cccnc1Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 1/20 0.50
HTR1A P08908 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
FEN1 P39748 2/20 0.46
MAPK8 P45983 2/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAOA P21397 1/20 0.43
APAF1 O14727 1/20 0.42
LTA4H P09960 1/20 0.42
TSHR P16473 1/20 0.42
ELANE P08246 1/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL29351809 0.89 FEN1 (0.45) ALDH1A1TDP1FEN1KMT2AMEN1
SCHEMBL14354842 0.85 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL398906 0.83 TRPA1 (0.46) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL1807075 0.83 CLK4 (0.47) ALDH1A1TDP1KMT2AMEN1L3MBTL1
SCHEMBL1803089 0.83 MEN1 (0.43) ALDH1A1TDP1HTR1ASLC6A2SLC6A4
SCHEMBL25307563 0.83 RAB9A (0.60) ALDH1A1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL7368904 0.83 LMNA (0.52) ALDH1A1TDP1FEN1LTA4H
SCHEMBL15055566 0.79 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL30612616 0.79 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL13452466 0.79 MEN1 (0.51) ALDH1A1TDP1MAPK8KMT2AMEN1

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071563-A Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2018-12-21 CN disclosed
EP-2321279-B1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT PIRAMAL IMAGING SA (CH) 2014-07-02 EP disclosed
EP-2408451-A2 RADIOLABELLED PYRIDINYL DERIVATIVES FOR IN-VIVO IMAGING GE Healthcare UK Limited (GB) 2012-01-25 EP disclosed
US-20120003154-A1 ARYLOXYANILIDE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2012-01-05 US disclosed
US-20120003154-A1 ARYLOXYANILIDE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2012-01-05 US disclosed
US-20120003154-A1 ARYLOXYANILIDE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2012-01-05 US disclosed
US-20110200535-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 US disclosed
US-20110200535-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 US disclosed
US-20110200535-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 US disclosed
CN-102112448-A DAA-pyridine as peripheral benzodiazepine receptor ligand for diagnostic imaging and pharmaceutical treatment BAYER SCHERING PHARMA AG 2011-06-29 CN disclosed
US-20030162806-A1 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-08-28 US disclosed
WO-2003050118-A1 AMIDE SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO disclosed
WO-2003050119-A2 UREA SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO disclosed
WO-2003050117-A1 SULFONAMIDO SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO disclosed
US-6545017-B1 Inducing cytokine biosynthesis; treating a viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY 2003-04-08 US disclosed
US-6545016-B1 Inducing cytokine biosynthesis; treating a viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY 2003-04-08 US disclosed
US-6525064-B1 Immune response modifiers; can induce the biosynthesis of various cytokines; 3M INNOVATIVE PROPERTIES COMPANY 2003-02-25 US disclosed
US-20020107262-A1 SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2002-08-08 US disclosed
WO-2002046194-A2 SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-06-13 WO disclosed
US-5274100-A Process for the preparation of (3-fluoropyridin-2-yloxy)phenoxypropionic acids CIBA-GEIGY CORPORATION (US) 1993-12-28 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 (4 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-20110200535-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT GABRA6, GABRA4, GABRA1 ALDH1A1 798/4885TDP1 3666/4885HTR1A 117/4885
US-20020107262-A1 SUBSTITUTED IMIDAZOPYRIDINES IRF3, IFNG, EIF2AK2 ALDH1A1 1429/4885TDP1 2709/4885HTR1A 4353/4885
US-20030162806-A1 Amide substituted imidazopyridines IRF3, EIF2AK2, IFNG ALDH1A1 1693/4885TDP1 3359/4885HTR1A 4807/4885
US-20120003154-A1 ARYLOXYANILIDE DERIVATIVES GABBR1, GABRA4, CNR1 ALDH1A1 2105/4885TDP1 2766/4885HTR1A 88/4885

“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.