SCHEMBL10275518

SCHEMBL10275518

Cc1nn2c(=O)c(C)c(-c3cnccc3C(F)(F)F)n(C)c2c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.37
SLC22A12 Q96S37 2/20 0.36
CNR1 P21554 1/20 0.36
TDP2 O95551 1/20 0.35
SLC11A2 P49281 1/20 0.34
CACNA1B Q00975 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
HSP90AA1 P07900 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PDE5A O76074 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL10275255 0.85 PDE2A (0.45) PDE2ATDP2SLC11A2KDM4ENPC1
SCHEMBL10313509 0.82 PDE2A (0.43) PDE2ATDP2SLC11A2KDM4ENPC1
SCHEMBL10276364 0.80 PGR (0.40) PDE2ATDP2KDM4ENPC1HSP90AA1
SCHEMBL10276117 0.80 CNR1 (0.41) PDE2ACNR1TDP2SLC11A2KDM4E
SCHEMBL10276142 0.78 KIF11 (0.43) PDE2ACNR1TDP2KDM4ENPC1
SCHEMBL10275794 0.74 PDE2A (0.39) PDE2ATDP2KDM4ENPC1HSP90AA1
SCHEMBL10313521 0.72 CNR1 (0.39) CNR1PDE5A
SCHEMBL10275680 0.72 PLAT (0.38) PDE2ASLC22A12CNR1SLC11A2CACNA1B
SCHEMBL10276366 0.70 HSD11B1 (0.44)
SCHEMBL10275740 0.69 NPC1 (0.44) PDE2ATDP2SLC11A2NPC1RAB9A

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 PDE2A 3531/4885SLC22A12 1323/4885CNR1 877/4885

“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.