SCHEMBL17221588

SCHEMBL17221588

CC(C)(C)OC(=O)N1Cc2cc(F)c(C#N)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 9/20 0.49
▸ NR1H2 P55055 2/20 0.45
▸ HDAC1 Q13547 1/20 0.44
▸ ESR2 Q92731 1/20 0.43
▸ TRPA1 O75762 1/20 0.42
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ DDB1 Q16531 1/20 0.41
▸ CRBN Q96SW2 1/20 0.41
▸ EGLN2 Q96KS0 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL30474184 0.91 ESR2 (0.56) GPR119NR1H2ESR2TRPA1JAK2
SCHEMBL31413054 0.91 ESR2 (0.56) GPR119NR1H2ESR2TRPA1JAK2
SCHEMBL24029364 0.82 GPR119 (0.47) GPR119NR1H2HDAC1ESR2TRPA1
SCHEMBL31159128 0.82 NR1H2 (0.46) GPR119NR1H2HDAC1ESR2DDB1
SCHEMBL5599594 0.81 ESR2 (0.62) GPR119NR1H2HDAC1ESR2DDB1
SCHEMBL31158757 0.81 GPR119 (0.45) GPR119NR1H2HDAC1ESR2DDB1
SCHEMBL24816784 0.80 ESR2 (0.50) NR1H2HDAC1ESR2DDB1CRBN
SCHEMBL17221201 0.79 HDAC1 (0.49) NR1H2HDAC1ESR2DDB1CRBN
SCHEMBL3876257 0.79 NR1H2 (0.48) GPR119NR1H2HDAC1ESR2DDB1
SCHEMBL24877558 0.79 GPR119 (0.52) GPR119TRPA1JAK2JAK1EGLN2

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-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
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 GPR119 3407/4885NR1H2 3403/4885HDAC1 2409/4885

“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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