SCHEMBL1920453

SCHEMBL1920453

CCCOc1ccc(N)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.54
NPC1 O15118 6/20 0.54
MAPT P10636 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 1/20 0.54
HSD17B10 Q99714 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
DHFR P00374 1/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
LTA4H P09960 1/20 0.44

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
SCHEMBL4156883 0.92 RAB9A (0.54) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL23634063 0.87 NCF1 (0.47) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL31538780 0.87 NR5A1 (0.53) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL360929 0.83 TDP1 (0.56) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL3333555 0.82 NOS3 (0.42) NOS3NOS2MPOTPOEPX
SCHEMBL23634060 0.82 NCF1 (0.56) KDM4EMPOTPOEPXLPO
SCHEMBL10279192 0.81 NOS3 (0.41) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL16964111 0.80 EBP (0.51) MAPTHTTKDM4ECYP1A2LTA4H
SCHEMBL28675571 0.80 APP (0.43) MAPTALDH1A1LTA4HNOS3NOS2
SCHEMBL30461576 0.80 APP (0.43) MAPTALDH1A1LTA4HNOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453831-A1 1H-PYRROLO(3,2-B)PYRIDINE-3-CARBOXYLIC ACID AMIDES Neurogen Corporation (US) 2004-09-08 EP claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
US-6673811-B1 TREATMENT OF ANXIETY, DEPRESSION, SLEEP DISORDER, ATTENTION DEFICIT DISORDER, ALZHEIMER'S DEMENTIA, OR SHORT-TERM MEMORY LOSS NEUROGEN CORPORATION 2004-01-06 US claimed
EP-1325006-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR NEUROGEN CORPORATION (US) 2003-07-09 EP claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
WO-2003044018-A1 1H-PYRROLO[3,2-B]PYRIDINE-3-CARBOXYLIC ACID AMIDES NEUROGEN CORPORATION (US) 2003-05-30 WO claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 WO claimed
WO-2022152852-A1 ANTAGONISTS OF MRGX2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-07-21 WO disclosed
EP-2473486-B2 PYRIMIDINES AS HEPCIDINE ANTAGONISTS VIFOR INT AG (CH) 2021-09-22 EP disclosed
US-9714247-B2 Multiple kinase pathway inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2017-07-25 US disclosed
US-20170107215-A1 MULTIPLE KINASE PATHWAY INHIBITORS SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-04-20 US disclosed
US-9493454-B2 Multiple kinase pathway inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2016-11-15 US disclosed
US-20150266870-A1 MULTIPLE KINASE PATHWAY INHIBITORS MANNKIND CORPORATION 2015-09-24 US disclosed
CN-1780841-A 5,7-diaminopyrazolo[4,3-d]pyrimidines useful in the traetment of hypertension PFIZER LTD (GB) 2006-05-31 CN disclosed
EP-1620437-A1 5,7-DIAMINOPYRAZOLO[4,3-D]PYRIMIDINES USEFUL IN THE TRAETMENT OF HYPERTENSION Pfizer Limited (GB) 2006-02-01 EP disclosed
US-6949562-B2 Heterocyclic compounds as ligands of the GABAA receptor NEUROGEN CORPORATION (US) 2005-09-27 US disclosed
US-20050043325-A1 Novel pharmaceuticals PFIZER INC 2005-02-24 US disclosed
WO-2004096810-A1 5,7-DIAMINOPYRAZOLO`4,3-D!PYRIMIDINES USEFUL IN THE TREATMENT OF HYPERTENSION PFIZER LIMITED (GB) 2004-11-11 WO disclosed
US-6673811-B1 TREATMENT OF ANXIETY, DEPRESSION, SLEEP DISORDER, ATTENTION DEFICIT DISORDER, ALZHEIMER'S DEMENTIA, OR SHORT-TERM MEMORY LOSS NEUROGEN CORPORATION 2004-01-06 US disclosed
US-6653471-B2 Tricyclic heteroaromatic compounds containing pyrrole ring; central nervous system disorder treatment; side effect reduction NEUROGEN CORPORATION 2003-11-25 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 (5 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 RAB9A 962/4885NPC1 1561/4885MAPT 2486/4885
US-20150266870-A1 MULTIPLE KINASE PATHWAY INHIBITORS MAP3K6, MAP3K2, MAP3K1 RAB9A 2162/4885NPC1 2969/4885MAPT 2809/4885
US-20170107215-A1 MULTIPLE KINASE PATHWAY INHIBITORS MAP3K6, MAP3K2, MAP3K1 RAB9A 2162/4885NPC1 2969/4885MAPT 2809/4885
US-20050043325-A1 Novel pharmaceuticals ABCB11, PCSK9, SLC10A1 RAB9A 729/4885NPC1 23/4885MAPT 1823/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 RAB9A 962/4885NPC1 1561/4885MAPT 2486/4885

“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.