SCHEMBL15745615

SCHEMBL15745615

Cc1nc2ccc(C(C)N3CCOCC3)cc2n2c(-c3ccccc3Cl)nnc12

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 19/20 0.67
▸ PDE10A Q9Y233 13/20 0.67
▸ PDE6D O43924 1/20 0.67
▸ PDE6A P16499 1/20 0.67
▸ PDE6G P18545 1/20 0.67
▸ PDE6B P35913 1/20 0.67
▸ PDE6C P51160 1/20 0.67
▸ PDE1B Q01064 1/20 0.67
▸ PDE7A Q13946 1/20 0.67
▸ PDE6H Q13956 1/20 0.67
▸ PDE3A Q14432 1/20 0.67
▸ ESR2 Q92731 1/20 0.53
▸ PDE4D Q08499 1/20 0.53
▸ PDE11A Q9HCR9 1/20 0.53

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
SCHEMBL14361986 0.87 PDE2A (0.65) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL15745614 0.82 PDE2A (0.71) PDE2APDE10AESR2PDE4DPDE11A
SCHEMBL14362264 0.80 PDE2A (1.00) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14765006 0.77 PDE2A (0.81) PDE2APDE10AESR2PDE4DPDE11A
SCHEMBL12502536 0.77 PDE2A (1.00) PDE2APDE10AESR2PDE4DPDE11A
SCHEMBL14473953 0.77 PDE2A (0.69) PDE2APDE10AESR2PDE4DPDE11A
SCHEMBL14361900 0.76 PDE2A (0.72) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14362197 0.76 PDE2A (0.81) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL12502680 0.75 PDE2A (1.00) PDE2APDE10AESR2PDE4DPDE11A
SCHEMBL12503036 0.75 PDE2A (1.00) PDE2APDE10APDE4DPDE11A

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-20140147386-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2014-05-29 — — 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-20140147386-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES PDE2A, PDE12, PDE5A PDE2A 1/4885PDE10A 10/4885PDE6D 24/4885

“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.

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