SCHEMBL11961746

SCHEMBL11961746

COC(=O)/C=C/c1n[nH]c2ncc(-c3ccccc3)c(N3CCN(C(=O)CC4CCCN4)CC3)c12

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
▸ CFD P00746 9/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ GHSR Q92847 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CACNA2D1 P54289 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ CACNB1 Q02641 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ CKS1B P61024 1/20 0.32
▸ SKP1 P63208 1/20 0.32
▸ SKP2 Q13309 1/20 0.32
▸ LMNA P02545 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
Hydrochloric Acid SCHEMBL3731139 0.99 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGCFD
Hydrochloric Acid SCHEMBL3731141 0.99 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGCFD
Hydrochloric Acid SCHEMBL3731146 0.99 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGCFD
Hydrochloric Acid SCHEMBL3731140 0.99 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGCFD
SCHEMBL11961060 0.87 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGCFD
Hydrochloric Acid SCHEMBL3735762 0.86 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGCFD
Hydrochloric Acid SCHEMBL3735757 0.86 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGCFD
Hydrochloric Acid SCHEMBL3735748 0.86 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGCFD
Hydrochloric Acid SCHEMBL3735751 0.86 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGCFD
SCHEMBL11961057 0.85 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGCFD

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 5 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-8372842-B2 Pyrazolopyridines as kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-02-12 — — US disclosed
EP-2242757-B1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2012-08-01 — — EP disclosed
US-20100280043-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-11-04 — — 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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