SCHEMBL20769500

SCHEMBL20769500

CN1CCc2c(sc3nc4n(c(=O)c23)-c2ccsc2C(=O)N(C)C4)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 16/20 0.49
▸ MEN1 O00255 14/20 0.49
▸ KDM4E B2RXH2 5/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ MAPT P10636 5/20 0.46
▸ HPGD P15428 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ GLA P06280 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ ADRA1D P25100 1/20 0.44
▸ HTR1B P28222 1/20 0.44
▸ ADRA1A P35348 1/20 0.44

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
SCHEMBL20769507 0.85 KMT2A (0.49) KMT2AMEN1KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL29901429 0.84 KMT2A (0.48) KMT2AMEN1KDM4EALDH1A1MAPT
Bromide SCHEMBL29901483 0.84 KMT2A (0.48) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL20769501 0.80 KMT2A (0.49) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL29694300 0.80 KMT2A (0.49) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL20807060 0.71 SMN1; SMN2 (0.49) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL23964640 0.70 MEN1 (0.50) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL23964783 0.69 MEN1 (0.50) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL20769515 0.67 KMT2A (0.53) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL20769503 0.67 KMT2A (0.53) KMT2AMEN1KDM4EALDH1A1MAPT

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 15 patents. 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 claimed
EP-3680243-B1 PENTACYCLIC COMPOUND EISAI R&D MAN CO LTD (JP) 2021-10-27 — — EP claimed
EP-3680243-A1 PENTACYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2020-07-15 — — EP claimed
US-10239889-B1 Pentacyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-03-26 — — US claimed
US-20190071452-A1 PENTACYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-03-07 — — US claimed
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

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 KMT2A 4721/4885MEN1 234/4885KDM4E 4652/4885
US-20190071452-A1 PENTACYCLIC COMPOUND CYP2B6, CYP3A5, CYP4A11 KMT2A 4674/4885MEN1 322/4885KDM4E 4530/4885

“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.

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