SCHEMBL5322679

SCHEMBL5322679

Cc1nn(C(C)C)c2nc(F)ccc12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 2/20 0.33
PDE1B Q01064 2/20 0.33
PDE1C Q14123 2/20 0.33
MERTK Q12866 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GRM4 Q14833 1/20 0.30
NT5E P21589 1/20 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
SCHEMBL31469677 0.79 NOS3 (0.38) PDE1APDE1BPDE1CMERTKKDM4E
SCHEMBL31469631 0.79 ABL1 (0.36) PDE1APDE1BPDE1CMERTKKDM4E
SCHEMBL3608704 0.79 PIK3CA (0.35) MERTK
SCHEMBL24287321 0.78 FPR1 (0.38) PDE1APDE1BPDE1CMERTKKDM4E
SCHEMBL20117217 0.77 ADORA2A (0.39) KDM4ENT5E
SCHEMBL5353111 0.76 MTOR (0.39) PDE1APDE1BPDE1CMERTKKDM4E
SCHEMBL5360329 0.74 KDM4E (0.38) PDE1APDE1BPDE1CMERTKKDM4E
SCHEMBL5357228 0.72 NT5E (0.34) PDE1APDE1BPDE1CNT5E
SCHEMBL20688200 0.70 L3MBTL1 (0.50) PDE1APDE1BPDE1CKDM4EGRM4
SCHEMBL17232694 0.69 GRM4 (0.43) PDE1APDE1BPDE1CGRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007123953-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-11-01 WO disclosed
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 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-20070254913-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 PDE1A 17/4885PDE1B 18/4885PDE1C 22/4885

“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.