SCHEMBL3739689

SCHEMBL3739689

O=C(CC1CCCN1)N1CCN(c2c(-c3ccccc3)cnc3[nH]nc(OCC(O)CO)c23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ HRH2 P25021 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ CACNA2D1 P54289 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ CACNB1 Q02641 1/20 0.36
▸ CFD P00746 6/20 0.35
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ GHSR Q92847 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 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
SCHEMBL3739679 1.00 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBPIK3CGHRH2
SCHEMBL3739683 1.00 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBPIK3CGHRH2
SCHEMBL11961735 1.00 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBPIK3CGHRH2
Hydrochloric Acid SCHEMBL3719868 0.99 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBPIK3CGHRH2
Hydrochloric Acid SCHEMBL3719852 0.99 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBPIK3CGHRH2
Hydrochloric Acid SCHEMBL3719861 0.99 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBPIK3CGHRH2
SCHEMBL27902774 0.87 MAPK1 (0.35) MAPK1GHSRCHRM3
Hydrochloric Acid SCHEMBL28802497 0.87 MAPK1 (0.35) MAPK1GHSRCHRM3
SCHEMBL11961825 0.83 AKT1 (0.37) MAPK1LMNA
SCHEMBL3719200 0.82 AKT1 (0.44) LMNA

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-8372842-B2 Pyrazolopyridines as kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-02-12 — — US disclosed
US-20100280043-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-11-04 — — 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-20100280043-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B PIK3CD 407/4885PIK3CA 361/4885PIK3CB 397/4885

“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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