SCHEMBL20138431

SCHEMBL20138431

Cc1nc2c(c(CO)nn2CCc2ccc(OC(F)(F)F)cc2)c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 15/20 0.50
▸ CDK4 P11802 1/20 0.43
▸ CCND1 P24385 1/20 0.43
▸ FLT1 P17948 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ TRPA1 O75762 1/20 0.38
▸ TYMS P04818 1/20 0.38
▸ GPR84 Q9NQS5 1/20 0.38

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
SCHEMBL22423073 0.90 PDE2A (0.52) PDE2ACDK4CCND1TYMS
SCHEMBL18282988 0.78 PDE2A (0.78) PDE2A
SCHEMBL18283211 0.78 PDE2A (0.78) PDE2A
SCHEMBL18283100 0.77 PDE2A (0.62) PDE2A
SCHEMBL18283047 0.77 PDE2A (0.62) PDE2A
SCHEMBL18282976 0.77 PDE2A (0.65) PDE2A
SCHEMBL18283050 0.77 PDE2A (0.62) PDE2A
SCHEMBL18282973 0.77 PDE2A (0.65) PDE2A
SCHEMBL18283175 0.77 PDE2A (0.65) PDE2A
SCHEMBL18283132 0.76 PDE2A (0.51) PDE2ACDK4CCND1

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
US-10160762-B2 6-alkyl dihydropyrazolopyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2018-12-25 — — US disclosed
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-17 — — 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 (2 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-10160762-B2 6-alkyl dihydropyrazolopyrimidinone compounds as PDE2 inhibitors PDE12, PDE2A, PDE4D PDE2A 2/4885CDK4 1789/4885CCND1 1630/4885
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D PDE2A 2/4885CDK4 1789/4885CCND1 1630/4885

“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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