SCHEMBL22792423

SCHEMBL22792423

Cc1c2ccsc2cn1C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL22792573 0.81 — —
SCHEMBL21931153 0.67 ALDH1A1 (0.32) KDM4EMAPTALDH1A1GAAHTT
SCHEMBL26596957 0.64 — —
SCHEMBL23346675 0.64 CCR9 (0.33) —
SCHEMBL22792587 0.63 CCR9 (0.31) —
SCHEMBL14788233 0.61 ALDH1A1 (0.32) ALDH1A1
SCHEMBL18418916 0.61 BRD4 (0.32) —
SCHEMBL13377364 0.60 BRD4 (0.35) KDM4EMAPTALDH1A1GAA
SCHEMBL12927041 0.60 CYP2A6 (0.33) —
SCHEMBL24344559 0.59 KDM4E (0.40) KDM4EMAPTALDH1A1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988466-B2 Heterocyclic derivatives useful as SHP2 inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-04-27 — — US disclosed
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2020-12-17 — — 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-10988466-B2 Heterocyclic derivatives useful as SHP2 inhibitors PTPRJ, PTPN5, PTPN1 KDM4E 1391/4885MAPT 4336/4885ALDH1A1 2693/4885
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ KDM4E 1233/4885MAPT 4283/4885ALDH1A1 2690/4885

“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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