SCHEMBL11961269

SCHEMBL11961269

O=C(C[C@@H]1CCCN1)N1CCN(c2c(C3CC3)cnc3[nH]nc(C(F)(F)F)c23)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ CFD P00746 5/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ TIPARP Q7Z3E1 7/20 0.34
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ CYP11B1 P15538 3/20 0.32
▸ CYP11B2 P19099 3/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ CACNA2D1 P54289 1/20 0.31
▸ CACNA1B Q00975 1/20 0.31
▸ CACNB1 Q02641 1/20 0.31

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 SCHEMBL3735280 0.99 HRH2 (0.38) HRH2HRH1CFDPIK3CDPIK3CA
Hydrochloric Acid SCHEMBL3735276 0.99 HRH2 (0.38) HRH2HRH1CFDPIK3CDPIK3CA
SCHEMBL11961235 0.87 HRH2 (0.40) HRH2HRH1CFDPIK3CDPIK3CA
Hydrochloric Acid SCHEMBL3735422 0.86 HRH2 (0.39) HRH2HRH1CFDPIK3CDPIK3CA
Hydrochloric Acid SCHEMBL3735423 0.86 HRH2 (0.39) HRH2HRH1CFDPIK3CDPIK3CA
SCHEMBL11961270 0.85 HRH2 (0.39) HRH2HRH1CFDPIK3CDPIK3CA
Hydrochloric Acid SCHEMBL3729106 0.84 HRH2 (0.38) HRH2HRH1CFDPIK3CDPIK3CA
Hydrochloric Acid SCHEMBL3729109 0.84 HRH2 (0.38) HRH2HRH1CFDPIK3CDPIK3CA
SCHEMBL11961064 0.84 CFD (0.42) HRH2HRH1CFDPIK3CDPIK3CA
Hydrochloric Acid SCHEMBL3731615 0.84 CFD (0.41) HRH2HRH1CFDPIK3CDPIK3CA

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 6 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
WO-2009089359-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 — — WO 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 HRH2 1780/4885HRH1 1640/4885CFD 4848/4885

“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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