SCHEMBL15946508

SCHEMBL15946508

Cc1ccc(-n2ncc3cc(N4C(=O)Cc5cccnc54)ccc32)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.34
TLR9 Q9NR96 1/20 0.34
PDE10A Q9Y233 1/20 0.33
NR3C1 P04150 3/20 0.33
CASP6 P55212 1/20 0.33
GRM7 Q14831 2/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
USP1 O94782 3/20 0.32
CYP11B2 P19099 2/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
CYP11B1 P15538 1/20 0.31
P2RX3 P56373 1/20 0.31

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
SCHEMBL1701255 0.72 GABRP (0.41) PDE10ANR3C1P2RX3P2RX2
SCHEMBL1701940 0.72 PDE10A (0.38) PDE10ANR3C1SMO
SCHEMBL14889192 0.68 NR3C1 (0.34) NR3C1CYP11B2CYP11B1MAP4K1PGR
SCHEMBL1701230 0.67 CHEK1 (0.46) NR3C1CYP11B2IRAK4CYP11B1
SCHEMBL1150422 0.67 HPGD (0.57) MEN1GAAKMT2ATLR9CASP6
SCHEMBL14889057 0.66 SMO (0.36) NR3C1CYP11B2CYP11B1MAP4K1PGR
SCHEMBL2345043 0.66 MAPT (0.48) MEN1GAAKMT2ATLR9CYP11B2
SCHEMBL1699137 0.66 HPGD (0.41) MEN1GAAKMT2ATLR9GRIN2D
SCHEMBL9209276 0.66 MEN1 (0.46) MEN1GAAKMT2ATLR9CASP6
SCHEMBL9479623 0.65 KMT2A (0.50) MEN1GAAKMT2ARAB9A

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-9226921-B2 Fused heterocyclic compounds as phosphodiesterases (PDES) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-05 US disclosed
US-9226921-B2 Fused heterocyclic compounds as phosphodiesterases (PDES) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-05 US disclosed
US-20140228320-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 US disclosed
US-20140228320-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 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-20140228320-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A MEN1 3708/4885GAA 283/4885KMT2A 2378/4885

“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.