SCHEMBL11168656

SCHEMBL11168656

O=c1ccc(-c2ccccc2F)c[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.49
PTPN1 P18031 1/20 0.49
TNKS O95271 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ACMSD Q8TDX5 1/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
PGR P06401 2/20 0.39
DAO P14920 1/20 0.39
TRPA1 O75762 1/20 0.39
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
NOTUM Q6P988 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL3164860 0.77 ALDH1A1 (0.48) ALDH1A1MAPTL3MBTL1KDM4ETHRB
SCHEMBL11470567 0.77 KDM4E (0.46) ALDH1A1MAPTL3MBTL1KDM4ETHRB
SCHEMBL10900077 0.77 CYP2A6 (0.48) PTPRCTNKS2ALDH1A1MAPTL3MBTL1
SCHEMBL11159194 0.77 PDE3B (0.47) TRPA1NOTUMPPARGPPARA
SCHEMBL12856701 0.73 PTPRC (0.56) PTPRCPTPN1TNKSTNKS2ALDH1A1
SCHEMBL13575388 0.73 PTPRC (0.53) PTPRCPTPN1TNKS2ALDH1A1MAPT
SCHEMBL26986890 0.73 ESR2 (0.51) ALDH1A1KDM4ETRPA1
SCHEMBL694974 0.73 MAPT (0.48) ALDH1A1MAPTL3MBTL1KDM4ETHRB
SCHEMBL29465044 0.72 NOTUM (0.58) PTPRCPTPN1TNKSTNKS2ACMSD
SCHEMBL11447916 0.72 MKNK1 (0.50) ALDH1A1MAPTL3MBTL1KDM4ETHRB

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790146-A Medical compounds 阿尔麦克探索有限公司 2019-05-21 CN disclosed
EP-2604597-B1 HETEROCYCLIC COMPOUND AND USE THEREOF INHIBITOR OF PHOSPHODIESTERASE 10A TAKEDA PHARMACEUTICALS CO (JP) 2017-01-04 EP disclosed
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
EP-2296653-B1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE INC (US) 2016-01-27 EP disclosed
US-9150588-B2 Substituted pyridazin-4(1H)-ones as phosphodiesterase 10A inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-06 US disclosed
US-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
US-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
EP-2604597-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2013-06-19 EP disclosed
US-20130137675-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-30 US disclosed
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
WO-2009149188-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-10 WO disclosed
EP-0017438-B1 SUBSTITUTED 3-ALKYL-6-PHENYL-1,2,4-TRIAZOLO(4,3-A)PYRIDINES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN CYANAMID COMPANY (US) 1983-03-02 EP disclosed
US-4242515-A Substituted 3-alkyl-6-phenyl-1,2,4-triazolo-[4,3-a]pyridines AMERICAN CYANAMID COMPANY (US) 1980-12-30 US disclosed
EP-0017438-A1 Substituted 3-alkyl-6-phenyl-1,2,4-triazolo(4,3-a)pyridines, processes for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1980-10-15 EP disclosed
US-4209626-A Substituted 6-phenyl-1,2,4-triazolo[4,3-a]pyridines AMERICAN CYANAMID COMPANY (US) 1980-06-24 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 (2 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-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 PTPRC 330/4885PTPN1 1464/4885TNKS 725/4885
US-20130137675-A1 HETEROCYCLIC COMPOUND AND USE THEREOF PDE3A, PDE2A, PDE5A PTPRC 1264/4885PTPN1 119/4885TNKS 3044/4885

“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.