SCHEMBL7039453

SCHEMBL7039453

O=c1[nH]c(Cc2ccccc2OC(F)(F)F)nc2c(I)n[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 3/20 0.61
▸ PDE1A P54750 3/20 0.61
▸ PDE1B Q01064 3/20 0.61
▸ PDE1C Q14123 3/20 0.61
▸ POLB P06746 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PDE5A O76074 1/20 0.37
▸ PNP P00491 1/20 0.36
▸ HCAR1 Q9BXC0 4/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ TRPC5 Q9UL62 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 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
SCHEMBL7039414 0.85 PDE9A (0.59) PDE9APDE1APDE1BPDE1CPOLB
SCHEMBL3492432 0.84 PDE9A (0.73) PDE9APDE1APDE1BPDE1CPOLB
SCHEMBL6418301 0.82 PDE9A (0.64) PDE9APDE1APDE1BPDE1CPOLB
SCHEMBL3492585 0.81 PDE1A (0.56) PDE9APDE1APDE1BPDE1CPOLB
SCHEMBL3492777 0.80 PDE9A (0.54) PDE9APDE1APDE1BPDE1CPOLB
SCHEMBL7036566 0.77 PDE9A (0.58) PDE9APDE1APDE1BPDE1CPOLB
SCHEMBL6374085 0.71 PDE9A (0.56) PDE9APDE1APDE1BPDE1CPDE5A
SCHEMBL16972452 0.70 PDE1A (0.48) PDE9APDE1APDE1BPDE1CPDE5A
SCHEMBL6365996 0.70 PDE1A (0.57) PDE9APDE1APDE1BPDE1CNPSR1
SCHEMBL6367437 0.70 PDE9A (0.49) PDE9APDE1APDE1BPDE1CPDE5A

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-20030195205-A1 PDE9 inhibitors for treating cardiovascular disorders PFIZER INC. 2003-10-16 — — 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-20030195205-A1 PDE9 inhibitors for treating cardiovascular disorders PDE9A, PDE2A, PDE3A PDE9A 1/4885PDE1A 62/4885PDE1B 50/4885

“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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