SCHEMBL7914265

SCHEMBL7914265

Cc1cc2cc(C)sc2cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 1/20 0.43
UHRF1 Q96T88 1/20 0.35
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
NOS1 P29475 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 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
SCHEMBL7920982 0.83 CYP1A2 (0.43) CYP1A2CYP2A6UHRF1PIK3CDPIK3CA
SCHEMBL8312255 0.81 CYP1A2 (0.42) CYP1A2CYP2A6UHRF1PIK3CDPIK3CA
SCHEMBL22241928 0.79 ALDH1A1 (0.34) NOS1ALDH1A1NPC1RAB9A
SCHEMBL23474003 0.79 NOS1 (0.43) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL14467192 0.79 CYP1A2 (0.41) CYP1A2CYP2A6UHRF1PIK3CDPIK3CA
SCHEMBL25054147 0.76 CYP1A2 (0.38) CYP1A2CYP2A6UHRF1PIK3CDPIK3CA
SCHEMBL24513017 0.76 NOS3 (0.32) NOS1
SCHEMBL5227886 0.74 GFER (0.42) CYP1A2ALDH1A1NPC1MAPTPKM
SCHEMBL17053156 0.74 GPR35 (0.51) ALDH1A1MAPTPKM
SCHEMBL2742924 0.73 ALDH1A1 (0.38) CYP2A6ALDH1A1NPC1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022161420-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2022-08-04 WO disclosed
EP-3426653-B1 BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY AC IMMUNE SA (CH) 2021-12-15 EP disclosed
US-20200299305-A1 BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY AC IMMUNE SA 2020-09-24 US disclosed
EP-2922137-B1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, DYE-ADSORBED ELECTRODE, AND METHOD FOR MANUFACTURING DYE-SENSITIZED SOLAR CELL FUJIFILM CORP (JP) 2019-04-03 EP disclosed
US-20190071450-A1 BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY AC IMMUNE SA (CH) 2019-03-07 US disclosed
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
EP-2649062-B1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) TAKEDA PHARMACEUTICAL (JP) 2015-04-08 EP disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 US disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
WO-2012074126-A9 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-06 WO disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 US disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 US disclosed
WO-2012074126-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 WO disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 WO disclosed
WO-2004014384-A2 CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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-20190071450-A1 BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY SNCA, PARK7, NLN CYP1A2 4547/4885CYP2A6 4848/4885UHRF1 4020/4885
US-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB CYP1A2 2432/4885CYP2A6 3139/4885UHRF1 1898/4885
US-20200299305-A1 BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY SNCA, PARK7, NLN CYP1A2 4547/4885CYP2A6 4848/4885UHRF1 4020/4885
US-20140243310-A1 BICYCLIC COMPOUND BICRA, NR3C2, CYP11B2 CYP1A2 112/4885CYP2A6 426/4885UHRF1 2588/4885
US-20120142714-A1 BICYCLIC COMPOUND ACACA, ACACB, FABP4 CYP1A2 1092/4885CYP2A6 1617/4885UHRF1 3403/4885

“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.