SCHEMBL17229331

SCHEMBL17229331

COc1ccc(C#N)c(CC(C)C)c1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.46
ALDH1A1 P00352 2/20 0.42
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
KDM5A P29375 1/20 0.35
HTR2A P28223 1/20 0.34
CYP3A4 P08684 1/20 0.34
AAK1 Q2M2I8 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
SCHEMBL17229302 0.84 AR (0.34) ARHTR2A
SCHEMBL17232476 0.82 ALDH1A1 (0.46) ARALDH1A1IMPDH2IMPDH1KDM4E
SCHEMBL17253609 0.81 ALOX15 (0.37) HTR2A
SCHEMBL23088012 0.81 ALDH1A1 (0.49) ARALDH1A1IMPDH2IMPDH1KDM4E
SCHEMBL17221463 0.81 ALDH1A1 (0.45) ARALDH1A1IMPDH2IMPDH1KDM4E
SCHEMBL29911448 0.81 ALDH1A1 (0.49) ARALDH1A1IMPDH2IMPDH1KDM4E
SCHEMBL17229271 0.79 KDM5A (0.37) ARMAOAMAOBKDM5AAAK1
SCHEMBL19068817 0.78 HTR2A (0.36) HTR2A
SCHEMBL23088260 0.78 KDM4E (0.50) ARALDH1A1IMPDH2IMPDH1KDM4E
SCHEMBL9723166 0.76 ALDH1A1 (0.53) ARALDH1A1IMPDH2IMPDH1KDM4E

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 AR 4282/4885ALDH1A1 416/4885IMPDH2 945/4885

“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.