SCHEMBL161636

SCHEMBL161636

CC(C)Oc1ccc[c]c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.38
ALDH1A1 P00352 3/20 0.36
ACHE P22303 1/20 0.36
MCHR1 Q99705 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
KCNN4 O15554 1/20 0.32
HDAC4 P56524 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TLR8 Q9NR97 1/20 0.32
CSNK2A1 P68400 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL900507 0.82 KMT2A (0.37) ALDH1A1KCNN4LMNAMAPTPOLB
SCHEMBL1819088 0.78 IRAK4 (0.39) IRAK4ALDH1A1ACHEMCHR1CA1
SCHEMBL16960318 0.78 IRAK4 (0.39) IRAK4ALDH1A1ACHEMCHR1CA1
SCHEMBL157951 0.77
SCHEMBL9673377 0.76 IRAK4 (0.42) IRAK4ALDH1A1ACHEMCHR1CA1
SCHEMBL6766726 0.76 IRAK4 (0.38) IRAK4ALDH1A1ACHEMCHR1CA1
SCHEMBL16962525 0.76 IRAK4 (0.38) IRAK4ALDH1A1ACHEMCHR1CA1
SCHEMBL3207844 0.76 ALDH1A1 (0.42) ALDH1A1TLR8KDM4ELMNATDP1
SCHEMBL17046279 0.76 ADRA2A (0.36) IRAK4ALDH1A1ACHEMCHR1CA1
SCHEMBL7044220 0.76

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 35 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
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 US claimed
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 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
US-6448259-B1 CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; AGONISTS, ANTAGONISTS OR INVERSE AGONISTS FOR GAMMA AMINOBUTYRIC ACID BINDING SITE, THE BENZODIAZEPINE RECEPTOR; ANXIETY, SLEEP AND SEIZURE DISORDERS SEDATIVE, ANXIOLYTIC AND ANTICONVULSANT ACTIVITY NEUROGEN CORPORATION 2002-09-10 US claimed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-02 US disclosed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2021-08-12 US disclosed
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2020-10-08 US disclosed
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US disclosed
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-01-02 US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
US-20130085132-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2013-04-04 US disclosed
EP-2438064-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES Novartis AG (CH) 2012-04-11 EP disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
WO-2010139731-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2010-12-09 WO disclosed
US-4379788-A HYPOTENSIVES, ANTIARRHYTHMIA, B-BLOCKERS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-04-12 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 (12 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-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 IRAK4 3222/4885ALDH1A1 1200/4885ACHE 1738/4885
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 IRAK4 4786/4885ALDH1A1 1273/4885ACHE 1026/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 IRAK4 4795/4885ALDH1A1 994/4885ACHE 890/4885
US-20130085132-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF SLC5A1, SLC5A2, SLC34A1 IRAK4 3898/4885ALDH1A1 676/4885ACHE 3600/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 IRAK4 4786/4885ALDH1A1 1273/4885ACHE 1026/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 IRAK4 4795/4885ALDH1A1 994/4885ACHE 890/4885
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 IRAK4 3222/4885ALDH1A1 1200/4885ACHE 1738/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 IRAK4 4795/4885ALDH1A1 994/4885ACHE 890/4885
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 IRAK4 33/4885ALDH1A1 2405/4885ACHE 2210/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 IRAK4 33/4885ALDH1A1 2405/4885ACHE 2210/4885
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 IRAK4 4786/4885ALDH1A1 1273/4885ACHE 1026/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 IRAK4 4786/4885ALDH1A1 1273/4885ACHE 1026/4885

“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.