SCHEMBL17229337

SCHEMBL17229337

CC(C)Cc1ccc2c(c1)CN1CCCC1=N2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.56
BCHE P06276 1/20 0.54
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
KMT2A Q03164 1/20 0.52
HRH3 Q9Y5N1 1/20 0.49
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL17229338 0.97 ACHE (0.60) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL17232498 0.85 ACHE (0.60) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL17253985 0.83 ACHE (0.40) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969188 0.82 ACHE (0.64) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969810 0.81 ACHE (0.67) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL17229279 0.81 ACHE (0.39) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969953 0.77 ACHE (0.62) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969426 0.76 ACHE (0.68) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL17229266 0.75 LRRK2 (0.35) ACHEALDH1A1
SCHEMBL8968424 0.75 ACHE (0.70) ACHEBCHEMEN1USP2ALDH1A1

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 ACHE 1376/4885BCHE 3382/4885MEN1 2247/4885

“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.