SCHEMBL17229262

SCHEMBL17229262

CC(C)Cc1ccc(N2CCOC2=O)nc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 13/20 0.39
ALDH1A1 P00352 1/20 0.37
PANK3 Q9H999 1/20 0.36
TSHR P16473 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
EED O75530 1/20 0.35
SUZ12 Q15022 1/20 0.35
EZH2 Q15910 1/20 0.35
PIM1 P11309 1/20 0.34

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
SCHEMBL17232492 0.85 HRH3 (0.38) IDH1EEDSUZ12EZH2PIM1
SCHEMBL17221105 0.82 VHL (0.38) EEDSUZ12EZH2PIM1
SCHEMBL17229320 0.82 ALDH1A1 (0.41) ALDH1A1PANK3TSHR
SCHEMBL9964663 0.77 DGAT1 (0.40) IDH1PIM1
SCHEMBL13424162 0.77 IDH1 (0.38) IDH1EEDSUZ12EZH2PIM1
SCHEMBL17229276 0.77 PARP1 (0.54) IDH1PANK3
SCHEMBL14923656 0.75 GRIN2D (0.41) IDH1EEDSUZ12EZH2PIM1
SCHEMBL27536634 0.75 IDH1 (0.43) IDH1PIM1
SCHEMBL27536633 0.75 IDH1 (0.43) IDH1EEDSUZ12EZH2
SCHEMBL8245080 0.74 CYP11B1 (0.56) ALDH1A1PANK3TSHR

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 IDH1 697/4885ALDH1A1 416/4885PANK3 372/4885

“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.