SCHEMBL30141014

SCHEMBL30141014

O=c1c2cncn2ccn1Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.44
GABRA5 P31644 1/20 0.40
CHRM5 P08912 2/20 0.39
HTR2C P28335 1/20 0.39
LMNA P02545 1/20 0.39
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP19A1 P11511 2/20 0.39
FNTA P49354 2/20 0.39
PGGT1B P53609 2/20 0.39
FNTB P49356 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
FEN1 P39748 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
NAMPT P43490 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37

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
SCHEMBL18185700 0.76 PDE1C (0.51) GRM2CHRM5HTR2CLMNAALDH1A1
SCHEMBL8136208 0.72 CYP11B1 (0.58) CHRM5HTR2CCYP11B1CYP11B2CYP3A4
SCHEMBL1039732 0.72 GRM2 (0.54) GRM2CHRM5LMNAALDH1A1TSHR
SCHEMBL1036013 0.72 GRM2 (0.54) GRM2CHRM5LMNAALDH1A1TSHR
SCHEMBL16312705 0.70 GRM2 (0.47) GRM2CHRM5LMNAALDH1A1TSHR
SCHEMBL17966903 0.70 LTA4H (0.51) LMNACYP11B1CYP11B2ALDH1A1TSHR
SCHEMBL28622532 0.69 TBXAS1 (0.63) CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL4682507 0.68 GRM2 (0.46) GRM2CHRM5LMNACYP3A4ALDH1A1
SCHEMBL30072249 0.68 CHRM5 (0.43) GRM2CHRM5HTR2CALDH1A1TSHR
SCHEMBL1040031 0.66 MAPK14 (0.75) GRM2ALDH1A1

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-11472810-B2 Imidazopyrazinones as PDE1 inhibitors H. LUNDBECK A/S (DK) 2022-10-18 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-11472810-B2 Imidazopyrazinones as PDE1 inhibitors PDE12, PDE4A, PDE5A GRM2 1019/4885GABRA5 854/4885CHRM5 1346/4885

“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.