SCHEMBL22792398

SCHEMBL22792398

CC(C)c1cc2occc2nc1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.36
▸ HTR1B P28222 5/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ GLP1R P43220 1/20 0.33
▸ ALOX5 P09917 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CASP3 P42574 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ SENP7 Q9BQF6 1/20 0.30
▸ SENP6 Q9GZR1 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
SCHEMBL13604898 0.78 DYRK1A (0.33) DYRK1AHTR1BGLP1R
SCHEMBL16744220 0.71 HTR1B (0.42) DYRK1AHTR1BKDM4EHSD17B10
SCHEMBL9928532 0.69 DYRK1A (0.33) DYRK1AHTR1BHTR2AHTR2C
SCHEMBL15502148 0.69 CA1 (0.36) HTR2CGLP1RHPGD
SCHEMBL7709496 0.68 DYRK1A (0.42) DYRK1AHTR1BHTR2AHTR2C
SCHEMBL12410896 0.68 ALDH1A1 (0.48) HTR2AHTR2CKDM4ENPC1ALDH1A1
SCHEMBL13233191 0.68 RPS6KA3 (0.36) HTR2AHTR2CALOX5
SCHEMBL23717044 0.67 HTR1B (0.39) DYRK1AHTR1BKDM4EHSD17B10
SCHEMBL18238971 0.67 DYRK1A (0.31) DYRK1A
SCHEMBL12759185 0.66 PDE3B (0.42) GLP1R

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 DYRK1A 1564/4885HTR1B 4252/4885HTR2A 4068/4885
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ DYRK1A 1313/4885HTR1B 4059/4885HTR2A 3938/4885

“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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