SCHEMBL7271386

SCHEMBL7271386

CN1CC(=O)Nc2ccsc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CRBN Q96SW2 2/20 0.42
CCNB2 O95067 5/20 0.39
CDK1 P06493 5/20 0.39
CCNB1 P14635 5/20 0.39
GSK3B P49841 5/20 0.39
CDK5 Q00535 5/20 0.39
CDK5R1 Q15078 5/20 0.39
CCNB3 Q8WWL7 5/20 0.39
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CES1 P23141 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
DDB1 Q16531 1/20 0.33

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
SCHEMBL9375538 0.73 MEN1 (0.48) MEN1KMT2ACRBNCYP11B1CYP11B2
SCHEMBL14463930 0.73 CHRM1 (0.40) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL13865329 0.72 BRD4 (0.50) MEN1KMT2ACRBNBRD4CREBBP
SCHEMBL9371717 0.70 KDM4E (0.33) HPGDGAA
SCHEMBL29696505 0.69 CCNB2 (0.47) MEN1KMT2ACCNB2CDK1CCNB1
SCHEMBL5068051 0.69 MEN1 (0.62) MEN1KMT2ACRBNCCNB2CDK1
SCHEMBL5025454 0.68 NPC1 (0.41) MEN1KMT2ACRBNCCNB2CDK1
SCHEMBL9263054 0.68 CCNB2 (0.38) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL7278846 0.68 MEN1 (0.53) MEN1KMT2ACRBNCYP11B1CYP11B2
SCHEMBL7142836 0.66 MEN1 (0.47) MEN1KMT2ACRBNCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111051316-B Pentacyclic compounds 卫材R&D管理有限公司 2022-05-31 CN disclosed
EP-3680243-B1 PENTACYCLIC COMPOUND EISAI R&D MAN CO LTD (JP) 2021-10-27 EP disclosed
EP-3680243-B1 PENTACYCLIC COMPOUND EISAI R&D MAN CO LTD (JP) 2021-10-27 EP disclosed
EP-3680243-A1 PENTACYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2020-07-15 EP disclosed
EP-3680243-A1 PENTACYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2020-07-15 EP disclosed
US-10239889-B1 Pentacyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-03-26 US disclosed
US-10239889-B1 Pentacyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-03-26 US disclosed
WO-2019049869-A1 PENTACYCLIC COMPOUND エーザイ・アール・アンド・ディー・マネジメント株式会社 2019-03-14 WO disclosed
US-20190071452-A1 PENTACYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-03-07 US disclosed
US-20190071452-A1 PENTACYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-03-07 US disclosed
US-4359420-A HYPOTENSIVE AGENT, MUSCLE RELAXANTS HOFFMANN-LA ROCHE INC. (US) 1982-11-16 US disclosed
US-4346034-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346032-A ANTIDOTES TO OVERDOSES OF BENZODIAZEPINE TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346030-A ANTIDOTES FOR OVERDOSES OF BENZODIAZEPINE TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346035-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346036-A ALKYLATION; AMIDATION; TRANQUILIZER ANTAGONIST HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346031-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346033-A Thienodiazepinone and benzodiazepinone intermediates HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4316839-A Imidazodiazepine derivatives HOFFMAN-LA ROCHE INC. (US) 1982-02-23 US disclosed
EP-0027214-A1 Imidazodiazepine derivatives, process and intermediates for their preparation, medicaments containing them and their therapeutic application F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-04-22 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 (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-10239889-B1 Pentacyclic compound CYP2B6, CYP11B2, CYP3A5 MEN1 234/4885KMT2A 4721/4885CRBN 3811/4885
US-20190071452-A1 PENTACYCLIC COMPOUND CYP2B6, CYP3A5, CYP4A11 MEN1 322/4885KMT2A 4674/4885CRBN 4134/4885

“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.