SCHEMBL20769503

SCHEMBL20769503

CN1CCc2c(sc3nc4n(c(=O)c23)[C@H]2CCC[C@@H]2C(=O)N(C)C4)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 11/20 0.53
▸ MEN1 O00255 10/20 0.53
▸ ALDH1A1 P00352 8/20 0.53
▸ KDM4E B2RXH2 7/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MAPT P10636 6/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ HPGD P15428 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ GAA P10253 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ BRD4 O60885 2/20 0.41
▸ TSHR P16473 1/20 0.40

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
SCHEMBL20769515 1.00 KMT2A (0.53) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL20769509 1.00 KMT2A (0.53) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL22402102 0.86 KMT2A (0.47) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL22392248 0.86 KMT2A (0.47) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL22392233 0.85 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL22392253 0.85 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL22402112 0.85 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL29736353 0.85 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL24503622 0.83 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL22392249 0.81 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1KDM4ELMNA

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 13 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
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 234/4885ALDH1A1 214/4885
US-20190071452-A1 PENTACYCLIC COMPOUND CYP2B6, CYP3A5, CYP4A11 KMT2A 4674/4885MEN1 322/4885ALDH1A1 297/4885

“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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