SCHEMBL22792393

SCHEMBL22792393

Cc1c(C(C)(C)C)ncc2sccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.47
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NCOA2 Q15596 1/20 0.42
▸ NCOA1 Q15788 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ NCOA3 Q9Y6Q9 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ ICAM1 P05362 1/20 0.36
▸ SELE P16581 1/20 0.36
▸ VCAM1 P19320 1/20 0.36

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
SCHEMBL22792921 0.82 KDM4E (0.44) KDM4EMAPTALDH1A1HPGDPPARG
SCHEMBL14498848 0.77 KDM4E (0.53) KDM4EMAPTALDH1A1HPGDPPARG
SCHEMBL13058570 0.77 KDM4E (0.40) KDM4EMAPTALDH1A1HPGDPPARG
SCHEMBL19806261 0.71 KDM4E (0.47) KDM4EMAPTALDH1A1HPGDPPARG
SCHEMBL7819635 0.70 HTR2C (0.41) KDM4EMAPTALDH1A1HPGDPPARG
SCHEMBL24344559 0.68 KDM4E (0.40) KDM4EMAPTALDH1A1HPGDPPARG
SCHEMBL18806100 0.68 DYRK1A (0.35) KDM4EMAPTALDH1A1HPGDPPARG
SCHEMBL5333350 0.67 KDM4E (0.50) KDM4EMAPTALDH1A1HPGDPPARG
SCHEMBL13765829 0.67 ICAM1 (0.45) KDM4EMAPTALDH1A1HPGDPPARG
SCHEMBL22504295 0.65 KDM4E (0.42) KDM4EMAPTALDH1A1HPGDPPARG

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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