SCHEMBL2170888

SCHEMBL2170888

Cc1nc(Cl)cc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.47
CYP1A2 P05177 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GPR3 P46089 1/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 3/20 0.41
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
NUDT1 P36639 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
GRM4 Q14833 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38

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
Hydrochloric Acid SCHEMBL9433849 0.98 CYP2A6 (0.45) CYP2A6CYP1A2L3MBTL1GPR3MAPT
SCHEMBL2519509 0.78 CYP2A6 (0.47) CYP2A6CYP1A2L3MBTL1GPR3ALDH1A1
SCHEMBL9218101 0.77 CYP2A6 (0.50) CYP2A6CYP1A2GPR3ALDH1A1HSD17B10
SCHEMBL637928 0.77 CYP2A6 (0.50) CYP2A6CYP1A2L3MBTL1GPR3MAPT
SCHEMBL29601221 0.77 L3MBTL1 (0.46) CYP2A6CYP1A2L3MBTL1MAPTLMNA
SCHEMBL165745 0.77 L3MBTL1 (0.46) CYP2A6CYP1A2L3MBTL1MAPTLMNA
Hydrochloric Acid SCHEMBL28363251 0.76 MAPT (0.50) CYP2A6CYP1A2L3MBTL1GPR3MAPT
Ammonia Solution, Strong SCHEMBL13730044 0.76 CYP2A6 (0.48) CYP2A6CYP1A2L3MBTL1GPR3MAPT
SCHEMBL4237853 0.75 SMN1; SMN2 (0.43) CYP1A2L3MBTL1MAPTLMNAALDH1A1
SCHEMBL31201809 0.75 SMN1; SMN2 (0.43) CYP1A2L3MBTL1MAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113651820-A Urea compounds for dual IDO and TDO inhibitors 正大天晴药业集团股份有限公司 2021-11-16 CN disclosed
CN-110382500-B Urea compounds for dual IDO and TDO inhibitors 正大天晴药业集团股份有限公司 2021-08-10 CN disclosed
EP-3233827-B1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY ACRAF (IT) 2020-07-08 EP disclosed
EP-3567035-A1 N-SUBSTITUTED 2,5-DIOXO-AZOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Canbas Co. Ltd. (JP) 2019-11-13 EP disclosed
EP-3088397-B1 COMPOUNDS THAT ABROGATE THE CELL CYCLE G2 CHECKPOINT FOR USE IN THE TREATMENT OF CANCER CANBAS CO LTD (JP) 2019-04-10 EP disclosed
US-10221144-B2 Antibacterial compounds having broad spectrum of activity AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2019-03-05 US disclosed
US-20170369450-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-28 US disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
WO-2016096686-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-06-23 WO disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-7186841-B2 (2-imidazolyl)quinolin-4-yl aldehydes; immunomodulators, antiproliferative agents; metabolic disorders AMGEN INC. (US) 2007-03-06 US disclosed
US-7186841-B2 (2-imidazolyl)quinolin-4-yl aldehydes; immunomodulators, antiproliferative agents; metabolic disorders AMGEN INC. (US) 2007-03-06 US disclosed
US-7186841-B2 (2-imidazolyl)quinolin-4-yl aldehydes; immunomodulators, antiproliferative agents; metabolic disorders AMGEN INC. (US) 2007-03-06 US disclosed
EP-1333834-A4 ANTIINFLAMMATION AGENTS AMGEN INC (US) 2007-01-17 EP disclosed
US-20050043330-A1 Antiinflammation agents AMGEN INC. (US) 2005-02-24 US disclosed
US-6846834-B2 Compounds contain fused carbocyclic or heterocyclic rings; modulate expression and/or function of proteins involved in inflammation, metabolism and cell proliferation AMGEN INC. (US) 2005-01-25 US disclosed
CN-1503673-A Anti-inflammatory agent �㽭�пؼ����ɷ����޹�˾ 2004-06-09 CN disclosed
EP-1333834-A2 ANTIINFLAMMATION AGENTS Tularik Inc. (US) 2003-08-13 EP disclosed
WO-2002041843-A2 ANTIINFLAMMATION AGENTS TULARIK INC. (US) 2002-05-30 WO disclosed
EP-0317416-A1 Process for the preparation of 1-chloro-5-alkyl isoquinolines condensed with aromatic groups, the products so obtained and their use as medicines CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1989-05-24 EP 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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CYP2A6 4408/4885CYP1A2 4552/4885L3MBTL1 2556/4885
US-20050043330-A1 Antiinflammation agents TNF, NFATC1, NFKBIA CYP2A6 2362/4885CYP1A2 2068/4885L3MBTL1 4635/4885
US-20170369450-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY MRPL21, ABCG2, CLPP CYP2A6 2155/4885CYP1A2 2782/4885L3MBTL1 3582/4885
US-10221144-B2 Antibacterial compounds having broad spectrum of activity MRPL21, ABCG2, CLPP CYP2A6 2155/4885CYP1A2 2782/4885L3MBTL1 3582/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CYP2A6 4408/4885CYP1A2 4552/4885L3MBTL1 2556/4885

“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.