SCHEMBL1613995

SCHEMBL1613995

COc1ccc(-c2c(C)nn3c(=O)cc(CNCOCc4ccc(C(F)(F)F)cc4)[nH]c23)cc1CO

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.34
PDE5A O76074 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARA Q07869 4/20 0.33
PPARD Q03181 3/20 0.33
PLAT P00750 2/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL1613466 0.84 AR (0.40) PDE2API4KBPLATMAPTNPC1
SCHEMBL15926352 0.84 MAPT (0.36) PDE2AKMT2ATP53MAPTLMNA
SCHEMBL1614735 0.79 PLAT (0.33) PDE2AKMT2APLATMAPTNPC1
SCHEMBL1614928 0.79 KCNQ3 (0.36) PDE2APLATLMNA
SCHEMBL15926362 0.76 AR (0.37) PDE2APLAT
SCHEMBL15926318 0.72 MAPK14 (0.32) MAPT
SCHEMBL15926314 0.72 KCNQ3 (0.36) PDE2AMAPTLMNASMN1; SMN2
SCHEMBL1614666 0.71 MAPT (0.33) MAPT
SCHEMBL15926328 0.70 MAPK14 (0.31) MAPT
SCHEMBL1615018 0.68 HCAR2 (0.35) PDE2AKMT2APLATMAPTLMNA

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-8796285-B2 Pyrazolo [1,5-a]-pyrimidones derivatives and pharmaceutical compositions and uses thereof HEBEI MEDICAL UNIVERSITY (CN) 2014-08-05 US disclosed
US-20120088775-A1 Pyrazolo-[1,5-a]-Pyrimidones Derivatives and Pharmaceutical Compositions and Uses Thereof PEKING UNIVERSITY (CN) 2012-04-12 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-20120088775-A1 Pyrazolo-[1,5-a]-Pyrimidones Derivatives and Pharmaceutical Compositions and Uses Thereof KCNJ2, KCNQ5, KCNJ11 PDE2A 706/4885PDE5A 394/4885PI4KB 3520/4885

“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.