SCHEMBL10275437

SCHEMBL10275437

O=C1C=C(c2ccc(C(F)(F)F)cc2)NC2=CC(c3ccc(F)cc3F)=C(c3ccccc3)NN12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.35
BACE1 P56817 2/20 0.34
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
ADAM17 P78536 1/20 0.33
TDP2 O95551 2/20 0.32
GLO1 Q04760 1/20 0.32
KIF11 P52732 2/20 0.32
HSD11B1 P28845 1/20 0.31
ALOX5AP P20292 4/20 0.31
FEN1 P39748 4/20 0.31
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL12825921 0.90 BACE1 (0.37) APPBACE1GLO1KIF11TRPV1
SCHEMBL10276333 0.87 ADORA1 (0.33) TDP2HSD11B1ALOX5APFEN1
SCHEMBL10275411 0.86 APP (0.37) APPAKR1C3AKR1C2ADAM17TDP2
SCHEMBL10275481 0.83 ADAM17 (0.35) APPAKR1C3AKR1C2ADAM17TDP2
SCHEMBL10275773 0.82 APP (0.34) APPAKR1C3AKR1C2ADAM17TDP2
SCHEMBL10276695 0.81 KIF11 (0.33) KIF11HSD11B1ALOX5APFEN1
SCHEMBL10276350 0.76 PDE3B (0.34) TDP2KIF11
SCHEMBL10275694 0.75 TDP2 (0.35) ADAM17TDP2
SCHEMBL10275632 0.73 RAD51 (0.33) BACE1TDP2KIF11
SCHEMBL10275638 0.73 KCNH2 (0.36) ADAM17TDP2ALOX5APFEN1

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 APP 55/4885BACE1 47/4885AKR1C3 68/4885

“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.