SCHEMBL10276028

SCHEMBL10276028

Cc1nn2c(=O)c(C)c(-c3ccc(F)cc3F)[nH]c2c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLAT P00750 3/20 0.40
ARF6 P62330 4/20 0.39
PDE2A O00408 4/20 0.37
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
SLC11A2 P49281 1/20 0.34
APP P05067 1/20 0.34
PDE5A O76074 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL10275273 0.92 PLAT (0.40) PLATARF6PDE2APGRNR3C2
SCHEMBL10313534 0.90 PGR (0.38) PLATARF6PGRNR3C2PDE3B
SCHEMBL10276317 0.88 ALDH1A1 (0.44) PLATARF6KDM4E
SCHEMBL10275704 0.85 PDE2A (0.43) PLATPDE2ASLC11A2PDE5A
SCHEMBL10276685 0.84 HSD11B1 (0.40) PLATARF6PGRNR3C2PDE3B
SCHEMBL10313546 0.83 ARF6 (0.41) PLATARF6PDE2APGRNR3C2
SCHEMBL10275482 0.83 PLAT (0.40) PLATARF6PDE2APGRNR3C2
SCHEMBL10275393 0.83 ARF6 (0.35) PLATARF6PDE2AAPPPDE5A
SCHEMBL10276495 0.82 ALDH1A1 (0.44) PLATKDM4E
SCHEMBL10275276 0.82 HSD11B1 (0.40) PLATARF6PDE3BPDE3A

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 PLAT 2180/4885ARF6 3355/4885PDE2A 3531/4885

“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.