SCHEMBL12132907

SCHEMBL12132907

CC(C)(C)c1nc2cncnc2nc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 1/20 0.38
▸ EGFR P00533 7/20 0.32
▸ DGAT1 O75907 1/20 0.32

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
SCHEMBL12134728 0.83 PIK3CG (0.33) PIK3CG
SCHEMBL22792590 0.83 PIK3CG (0.33) PIK3CG
SCHEMBL12134965 0.83 PIK3CG (0.33) PIK3CG
SCHEMBL3292267 0.78 PIK3CG (0.47) PIK3CGEGFR
SCHEMBL1378685 0.75 PIK3CG (0.46) PIK3CGEGFR
SCHEMBL25101246 0.74 PIK3CG (0.34) PIK3CGEGFRDGAT1
SCHEMBL26795835 0.74 PIK3CG (0.34) PIK3CGEGFRDGAT1
SCHEMBL30290978 0.72 PIK3CG (0.41) PIK3CGEGFR
SCHEMBL2490862 0.72 PIK3CG (0.41) PIK3CGEGFR
SCHEMBL22793044 0.72 EGFR (0.34) EGFR

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 10 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
US-20110288090-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2011-11-24 — — US disclosed
US-7705014-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2010-04-27 — — US disclosed
US-7589068-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-09-15 — — US disclosed
US-20090062327-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2009-03-05 — — US disclosed
US-7396832-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2008-07-08 — — US disclosed
US-20080009507-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-01-10 — — US disclosed
US-20070149536-A1 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. 2007-06-28 — — US disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 — — 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 (6 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-20070149536-A1 Inhibitors of Akt activity AKT1, AKT2, AKT3 PIK3CG 12/4885EGFR 412/4885DGAT1 2151/4885
US-10988466-B2 Heterocyclic derivatives useful as SHP2 inhibitors PTPRJ, PTPN5, PTPN1 PIK3CG 370/4885EGFR 945/4885DGAT1 1456/4885
US-20090062327-A1 Inhibitors of AKT Activity PIK3CD, PIK3CA, PIK3CG PIK3CG 3/4885EGFR 455/4885DGAT1 1658/4885
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ PIK3CG 361/4885EGFR 1014/4885DGAT1 1672/4885
US-20110288090-A1 Inhibitors of AKT Activity PIK3CD, PIK3CA, PIK3CG PIK3CG 3/4885EGFR 455/4885DGAT1 1658/4885
US-20080009507-A1 Inhibitors of Akt Activity PIK3CD, PIK3CA, PIK3CG PIK3CG 3/4885EGFR 455/4885DGAT1 1658/4885

“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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