SCHEMBL160145

SCHEMBL160145

CCOc1c[c]ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 2/20 0.38
KDM1A O60341 2/20 0.36
ALDH1A1 P00352 6/20 0.35
NQO1 P15559 1/20 0.34
KDM4E B2RXH2 3/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 2/20 0.33
TUBB1 Q9H4B7 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL14814379 0.85 L3MBTL1 (0.40) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL161774 0.84 L3MBTL1 (0.46) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL9686154 0.83 NQO1 (0.45) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL127280 0.81 ALDH1A1 (0.39) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL5182869 0.80 L3MBTL1 (0.44) L3MBTL1TDP1ALDH1A1MAPTHPGD
SCHEMBL5668680 0.80 L3MBTL1 (0.44) L3MBTL1TDP1ALDH1A1MAPTHPGD
SCHEMBL596640 0.80 L3MBTL1 (0.37) L3MBTL1HTTALDH1A1NQO1KDM4E
SCHEMBL5273567 0.80
SCHEMBL28026234 0.79 ALDH1A1 (0.39) KDM1AALDH1A1MAPTGAA
SCHEMBL14814247 0.79 L3MBTL1 (0.39) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US claimed
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-04-30 US claimed
EP-2970212-B1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2018-04-25 EP claimed
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 US claimed
EP-2970212-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS Dart Neuroscience (Cayman) Ltd (KY) 2016-01-20 EP claimed
US-20160009691-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE, LLC 2016-01-14 US claimed
WO-2014158998-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE, LLC (US) 2014-10-02 WO claimed
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US claimed
US-8748599-B2 Cyclic triazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2014-06-10 US claimed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US claimed
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP claimed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO claimed
WO-2011072064-A1 S PIRO [CHROMAN - 4, 4 ' - IMIDAZOL] ONES AS BETA - SECRETASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 WO claimed
US-7915424-B2 Analgesics; anxiolytic agents ELI LILLY AND COMPANY (US) 2011-03-29 US claimed
EP-1729771-B1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-14 EP claimed
US-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists ELI LILLY AND COMPANY (US) 2008-08-14 US claimed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US claimed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed
EP-1729771-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2006-12-13 EP claimed
WO-2005094822-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-13 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 L3MBTL1 3563/4885CYP1A2 2270/4885CYP2D6 1847/4885
US-20160009691-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D L3MBTL1 4723/4885CYP1A2 625/4885CYP2D6 1022/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 L3MBTL1 3563/4885CYP1A2 2270/4885CYP2D6 1847/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 L3MBTL1 2990/4885CYP1A2 1024/4885CYP2D6 818/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 L3MBTL1 2990/4885CYP1A2 1024/4885CYP2D6 818/4885
US-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists HRH4, CNR2, CNR1 L3MBTL1 2142/4885CYP1A2 1502/4885CYP2D6 1976/4885
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP L3MBTL1 2661/4885CYP1A2 53/4885CYP2D6 13/4885

“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.