SCHEMBL2355409

SCHEMBL2355409

CCOC(=O)c1ccc(Br)nc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
TSHR P16473 2/20 0.52
ALDH1A1 P00352 5/20 0.51
ALOX15 P16050 1/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
CASP3 P42574 1/20 0.49
ATM Q13315 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47

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
SCHEMBL13072040 0.83 TSHR (0.49) KDM4ETSHRALDH1A1MEN1KMT2A
SCHEMBL14860417 0.83 TSHR (0.49) KDM4ETSHRALDH1A1ATMMEN1
SCHEMBL609984 0.83 KDM4E (0.54) KDM4ETSHRALDH1A1ALOX15RAB9A
SCHEMBL14686821 0.82 NPC1 (0.54) KDM4ETSHRALDH1A1RAB9ANPC1
SCHEMBL5664007 0.82 KDM4E (0.57) KDM4ETSHRALDH1A1ALOX15RAB9A
SCHEMBL1017506 0.81 KDM4E (0.55) KDM4ETSHRALDH1A1ALOX15RAB9A
SCHEMBL4192112 0.81 CYP1A2 (0.62) KDM4ETSHRALDH1A1ALOX15RAB9A
SCHEMBL14686577 0.79 GABRP (0.61) KDM4ETSHRALDH1A1ALOX15RAB9A
Hydrochloric Acid SCHEMBL30639526 0.79 KDM4E (0.54) KDM4ETSHRALDH1A1ALOX15RAB9A
SCHEMBL15211304 0.79 KDM4E (0.54) KDM4ETSHRALDH1A1ALOX15RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109293567-A A kind of synthetic method of the bromo- 2- methylnicotinic acid ethyl ester of 5- 上海睿腾医药科技有限公司 2019-02-01 CN claimed
EP-3689868-B1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS INC (US) 2023-09-27 EP disclosed
EP-3689868-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas Operations, Inc. (US) 2020-08-05 EP disclosed
CN-110520423-A AMINOTRIAZOLOPYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO 2019-11-29 CN disclosed
CN-107108637-B Triazolopyrimidine compound and application thereof NOVARTIS AG (CH) 2019-10-29 CN disclosed
CN-109790166-A imidazopyridine compounds for the treatment of cancer 诺华股份有限公司 2019-05-21 CN disclosed
CN-109293567-A A kind of synthetic method of the bromo- 2- methylnicotinic acid ethyl ester of 5- 上海睿腾医药科技有限公司 2019-02-01 CN disclosed
CN-109293567-A A kind of synthetic method of the bromo- 2- methylnicotinic acid ethyl ester of 5- 上海睿腾医药科技有限公司 2019-02-01 CN disclosed
CN-109293567-A A kind of synthetic method of the bromo- 2- methylnicotinic acid ethyl ester of 5- 上海睿腾医药科技有限公司 2019-02-01 CN disclosed
WO-2018102725-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas, Inc. (US) 2018-06-07 WO disclosed
US-20140343049-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-11-20 US disclosed
US-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 US disclosed
WO-2013056015-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 WO disclosed
WO-2013056015-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 WO disclosed
US-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 US disclosed
US-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 US disclosed
WO-2013026724-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-02-28 WO disclosed
EP-2539330-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2013-01-02 EP disclosed
US-20120329769-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-12-27 US disclosed
WO-2011101229-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-08-25 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 (3 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-20120329769-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS FOXM1, NDUFC1, H1-0 KDM4E 1915/4885TSHR 4255/4885ALDH1A1 93/4885
US-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS MTOR, PDPK1, PIK3CA KDM4E 2332/4885TSHR 4065/4885ALDH1A1 3634/4885
US-20140343049-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS NQO2, NIT2, QDPR KDM4E 1563/4885TSHR 4664/4885ALDH1A1 73/4885

“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.