SCHEMBL22792595

SCHEMBL22792595

CC(C)(C)c1c2[nH]ccc2cn1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.33
▸ TAF1 P21675 1/20 0.33
▸ BRPF1 P55201 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ CECR2 Q9BXF3 1/20 0.33
▸ BRD9 Q9H8M2 1/20 0.33
▸ NR3C1 P04150 1/20 0.30
▸ PGR P06401 1/20 0.30
▸ NR3C2 P08235 1/20 0.30
▸ AR P10275 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
SCHEMBL22793158 0.65 EGFR (0.33) —
SCHEMBL26604266 0.63 — —
SCHEMBL23346902 0.63 BRD4 (0.36) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL3793079 0.59 AHR (0.50) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL19968210 0.59 — —
SCHEMBL18876054 0.58 POLB (0.39) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL17084654 0.58 TNF (0.37) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL16692645 0.58 TNF (0.37) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL21848959 0.57 TNF (0.53) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL22792573 0.57 — —

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 BRD4 1172/4885TAF1 2622/4885BRPF1 2293/4885

“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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