SCHEMBL21001663

SCHEMBL21001663

COC(=O)c1nn2ccc(C)nc2c1F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HTR6 P50406 4/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ KMT2A Q03164 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TYK2 P29597 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PDE2A O00408 1/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34

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
SCHEMBL21033308 0.84 HTR6 (0.41) KDM4EALDH1A1HSD17B10HTR6PTGS2
SCHEMBL21014290 0.82 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2HSD17B10RAB9A
SCHEMBL21033150 0.80 HTR6 (0.39) KDM4EHSD17B10HTR6PTGS2KMT2A
SCHEMBL4251315 0.72 NPSR1 (0.39) KDM4EALDH1A1SMN1; SMN2HSD17B10RAB9A
SCHEMBL24066067 0.71 HTR6 (0.36) HTR6PTGS2TYK2PDE2A
SCHEMBL4251318 0.70 GAA (0.38) KDM4EALDH1A1SMN1; SMN2HSD17B10RAB9A
SCHEMBL17883350 0.70 HTR6 (0.38) KDM4EHTR6PTGS2TYK2ADORA2A
SCHEMBL8353834 0.69 ADORA3 (0.40) KDM4EALDH1A1SMN1; SMN2RAB9APTGS2
SCHEMBL25198769 0.68 S1PR4 (0.49) KDM4EALDH1A1SMN1; SMN2HSD17B10RAB9A
SCHEMBL21033151 0.68 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HSD17B10RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111542523-B Heterocyclic compounds as PRMT5 inhibitors 朱比连特埃皮斯科瑞有限责任公司 2024-03-29 — — CN disclosed
EP-3704120-B1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT EPISCRIBE LLC (US) 2024-03-06 — — EP disclosed
US-11459338-B2 Heterocyclic compounds as PRMT5 inhibitors JUBILANT EPISCRIBE LLC (US) 2022-10-04 — — US disclosed
US-20210371431-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT EPISCRIBE LLC 2021-12-02 — — US disclosed
EP-3704120-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS Jubilant Episcribe LLC (US) 2020-09-09 — — EP disclosed
WO-2019102494-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-05-31 — — WO disclosed
WO-2019102494-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-05-31 — — 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 (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-11459338-B2 Heterocyclic compounds as PRMT5 inhibitors PRMT5, PRMT1, PRMT3 KDM4E 221/4885ALDH1A1 2360/4885SMN1; SMN2 972/4885
US-20210371431-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 KDM4E 221/4885ALDH1A1 2360/4885SMN1; SMN2 972/4885

“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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