SCHEMBL35211580

SCHEMBL35211580

Cn1c(=O)cnc2ncncc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.37
CYP1A2 P05177 11/20 0.33
ALDH1A1 P00352 6/20 0.33
HSD17B10 Q99714 5/20 0.33
USP2 O75604 4/20 0.33
CASP1 P29466 3/20 0.33
CASP7 P55210 3/20 0.33
HPGD P15428 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP3A4 P08684 6/20 0.33
TSHR P16473 6/20 0.33
CLK4 Q9HAZ1 3/20 0.33
HDAC1 Q13547 1/20 0.32
CYP2C19 P33261 4/20 0.32
GLA P06280 1/20 0.32
GABRA5 P31644 1/20 0.32
LTA4H P09960 1/20 0.31
GSK3B P49841 2/20 0.31
CD38 P28907 1/20 0.31
CYP2C9 P11712 3/20 0.30

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
SCHEMBL17813501 0.73 KDM4E (0.34) HDAC6CYP1A2ALDH1A1HSD17B10USP2
SCHEMBL20223112 0.72 BRPF1 (0.40) CYP1A2ALDH1A1HSD17B10USP2CASP1
SCHEMBL21038298 0.72 ALOX5 (0.35) CYP1A2ALDH1A1HSD17B10USP2CASP1
SCHEMBL30473131 0.72 BRPF1 (0.40) CYP1A2ALDH1A1HSD17B10USP2CASP1
SCHEMBL13041958 0.71 KDM4E (0.35) HDAC6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL145694 0.69 HDAC6 (0.40) HDAC6ALDH1A1TSHRHDAC1GLA
SCHEMBL21363502 0.69 CLK4 (0.38) HDAC6CYP1A2CYP2D6CYP3A4CLK4
SCHEMBL31532138 0.69 CYP1A2 (0.53) CYP1A2ALDH1A1HSD17B10USP2CASP1
SCHEMBL21038063 0.69 CYP1A2 (0.41) CYP1A2ALDH1A1HSD17B10USP2CASP1
SCHEMBL21038062 0.69 PTGER4 (0.36) CYP1A2ALDH1A1HSD17B10USP2CASP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260124198-A1 ANTIVIRAL PYRAZOLOPYRIDINONE COMPOUNDS GILEAD SCIENCES INC (US) 2026-05-07 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-20260124198-A1 ANTIVIRAL PYRAZOLOPYRIDINONE COMPOUNDS ZC3HAV1, CCR1, CCR6 HDAC6 883/4885CYP1A2 2035/4885ALDH1A1 3001/4885

“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.