SCHEMBL17232467

SCHEMBL17232467

CCc1ccc(N2CCOCC2=O)nc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 4/20 0.44
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PARP1 P09874 2/20 0.39
F10 P00742 1/20 0.37
AOC3 Q16853 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
FKBP1A P62942 1/20 0.36
PTGS2 P35354 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MTOR P42345 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GRM5 P41594 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
SCHEMBL17229320 0.85 ALDH1A1 (0.41) MAP4K1CYP11B1CYP11B2PARP1F10
SCHEMBL17232492 0.80 HRH3 (0.38) MAP4K1CYP11B1CYP11B2PARP1HRH3
SCHEMBL3375677 0.80 F10 (0.40) MAP4K1CYP11B2F10PTGS2CYP1A2
SCHEMBL17232469 0.78 PARP1 (0.57) PARP1HRH3CYP1A2CYP2D6
SCHEMBL15856221 0.78 AKR1C3 (0.50) MAP4K1F10PTGS2CYP1A2CYP2C9
SCHEMBL7906874 0.78 F10 (0.53) F10PTGS2ALDH1A1
SCHEMBL19145931 0.78 PTGS2 (0.44) MAP4K1PTGS2CYP1A2CYP2C19MTOR
SCHEMBL149381 0.76 CYP11B1 (0.60) CYP11B1CYP11B2AOC3CYP1A2CYP2C9
SCHEMBL28894717 0.75 PTGS2 (0.36) MAP4K1F10PTGS2CYP1A2CYP2C9
SCHEMBL5626257 0.74 ALDH1A1 (0.64) CYP1A2CYP2C9ALDH1A1

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 2 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-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 MAP4K1 384/4885CYP11B1 250/4885CYP11B2 157/4885

“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.