SCHEMBL2262107

SCHEMBL2262107

Brc1ccc2nc[c]n2c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 1/20 0.37
▸ AHR P35869 7/20 0.34
▸ TSHR P16473 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAP3K14 Q99558 1/20 0.31
▸ APP P05067 1/20 0.31
▸ GAA P10253 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
SCHEMBL2505499 0.71 TYR (0.36) —
SCHEMBL17224416 0.67 PIK3CG (0.37) PIK3CGAHRTSHRMAPK10MEN1
SCHEMBL16033289 0.64 AHR (0.39) PIK3CGAHRTSHRMAPK10MEN1
SCHEMBL29036635 0.64 PIK3CG (0.47) PIK3CGAHRTSHRMAPK10MEN1
SCHEMBL28585058 0.61 PIK3CG (0.36) PIK3CGAHRTSHRMAPK10MEN1
SCHEMBL28548228 0.60 AHR (0.38) PIK3CGAHRMEN1NPC1ALDH1A1
SCHEMBL3029604 0.60 MAP3K14 (0.49) PIK3CGAHRTSHRMAPK10MAP3K14
SCHEMBL408627 0.60 DYRK1A (0.53) PIK3CGTSHRMAPK10MEN1NPC1
SCHEMBL2505512 0.59 — —
SCHEMBL698672 0.58 PIK3CG (0.46) PIK3CGAHRTSHRMAPK10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107163044-B Naphthylethylenedione compound with protease modification activity and derivative thereof 广东药科大学 2021-04-23 — — CN disclosed
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-12-01 — — US disclosed
US-8058425-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-11-15 — — US disclosed
US-8022065-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-09-20 — — US disclosed
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-08-25 — — US disclosed
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY 2009-04-23 — — US disclosed
US-7491716-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2009-02-17 — — US disclosed
EP-1483265-B1 PURINE DERIVATIVES AS KINASE INHIBITORS LILLY CO ELI (US) 2006-11-22 — — EP disclosed
US-20050090483-A1 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY 2005-04-28 — — 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 (4 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-20050090483-A1 Purine derivatives as kinase inhibitors PNP, ADK, NME2 PIK3CG 456/4885AHR 3474/4885TSHR 3594/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 PIK3CG 456/4885AHR 3474/4885TSHR 3594/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 PIK3CG 456/4885AHR 3474/4885TSHR 3594/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 PIK3CG 456/4885AHR 3474/4885TSHR 3594/4885

“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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