SCHEMBL22792864

SCHEMBL22792864

Cc1c(C(C)(C)C)ccc2c1NCO2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 2/20 0.33
▸ ADRA2C P18825 2/20 0.33
▸ ADRA1D P25100 2/20 0.33
▸ ADRA1A P35348 2/20 0.33
▸ ADRA1B P35368 2/20 0.33
▸ ADRA2B P18089 1/20 0.33

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
SCHEMBL22803124 0.83 ADRA2A (0.49) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL22792650 0.82 — —
SCHEMBL22803133 0.73 NR3C2 (0.52) —
SCHEMBL16072579 0.67 NQO2 (0.38) —
SCHEMBL19287887 0.66 CA2 (0.41) —
SCHEMBL8593460 0.66 MAP3K14 (0.38) —
SCHEMBL15084394 0.66 HTR2C (0.37) —
SCHEMBL22803134 0.65 — —
SCHEMBL22792664 0.64 ALDH1A1 (0.31) —
SCHEMBL22792825 0.63 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ ADRA2A 4766/4885ADRA2C 4691/4885ADRA1D 4721/4885

“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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