SCHEMBL10275936

SCHEMBL10275936

O=C1C=C(c2ccc(C(F)(F)F)cc2)NN2C1=NCC(c1ccccc1)=C2c1ccc(F)cc1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.34
ALOX5AP P20292 10/20 0.34
FEN1 P39748 10/20 0.34
APP P05067 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
TDP2 O95551 1/20 0.30
GLO1 Q04760 1/20 0.30
PKM P14618 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
SCHEMBL10276696 0.90 KIF11 (0.34) ALOX5APFEN1PDE3BPDE3A
SCHEMBL10276335 0.87 PDE3B (0.36) ALOX5APFEN1PDE3BPDE3A
SCHEMBL10276411 0.86 APP (0.36) ALOX5APFEN1APPAKR1C3AKR1C2
SCHEMBL10275483 0.85 ALOX5AP (0.34) ALOX5APFEN1APPAKR1C3AKR1C2
SCHEMBL10275775 0.81 ALOX5AP (0.33) ALOX5APFEN1APPAKR1C3AKR1C2
SCHEMBL10276352 0.77 PDE3B (0.36) ALOX5APFEN1PDE3BPDE3ATDP2
SCHEMBL10275697 0.75 PDE3B (0.34) BACE1ALOX5APFEN1APPPDE3B
SCHEMBL10276045 0.73 APP (0.35) APPTDP2
SCHEMBL10275868 0.73 RAD51 (0.33) BACE1TDP2
SCHEMBL10275642 0.73 PDE3B (0.37) ALOX5APFEN1PDE3BPDE3ATDP2

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 BACE1 47/4885ALOX5AP 1631/4885FEN1 1832/4885

“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.