SCHEMBL17229276

SCHEMBL17229276

CC(C)Cc1ccc(N2CCCC2=O)nc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.54
CNR2 P34972 1/20 0.46
PCSK9 Q8NBP7 1/20 0.42
KLKB1 P03952 2/20 0.39
KLK1 P06870 1/20 0.39
FGFR3 P22607 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ACACB O00763 1/20 0.37
PIK3CD O00329 1/20 0.37
IDH1 O75874 2/20 0.37
USP1 O94782 1/20 0.37
PANK3 Q9H999 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL17232469 0.84 PARP1 (0.57) PARP1CNR2PCSK9KLKB1KLK1
SCHEMBL3465649 0.81 PARP1 (0.57) PARP1CNR2PCSK9KLKB1KLK1
SCHEMBL5172659 0.81 PARP1 (0.57) PARP1CNR2PCSK9KLKB1KLK1
SCHEMBL17229320 0.80 ALDH1A1 (0.41) PARP1PANK3SMN1; SMN2
SCHEMBL19501403 0.78 CNR2 (0.49) PARP1CNR2PCSK9FGFR3HRH3
SCHEMBL14408313 0.78 PARP1 (0.54) PARP1CNR2PCSK9KLKB1KLK1
SCHEMBL17897210 0.78 ACACB (0.55) ACACB
SCHEMBL17229262 0.77 IDH1 (0.39) IDH1PANK3
SCHEMBL469807 0.76 CNR2 (0.52) PARP1CNR2PCSK9FGFR3HRH3
SCHEMBL14367676 0.76 AOC3 (0.47) CNR2HRH3PANK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
WO-2015171527-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-12 WO disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 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-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS TPMT, DPYD, XDH PARP1 1782/4885CNR2 3014/4885PCSK9 766/4885

“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.