SCHEMBL10275891

SCHEMBL10275891

COc1ccc(-c2c(-c3ccc(C#N)cc3)nc3[nH]c(-c4ccc(C(F)(F)F)cc4)cc(=O)n23)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
GLA P06280 1/20 0.45
KIT P10721 5/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BCAT1 P54687 1/20 0.39
PIK3CA P42336 1/20 0.38
KDM5A P29375 1/20 0.38
KDM1A O60341 3/20 0.38
KIF11 P52732 1/20 0.38
DGAT1 O75907 1/20 0.37
SOAT1 P35610 1/20 0.37
KCNH2 Q12809 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL10276273 0.92 KIF11 (0.44) KDM4EMAPTKITKMT2ABCAT1
SCHEMBL10275808 0.87 MEN1 (0.41) KDM4EMAPTGLAKITMEN1
SCHEMBL10275888 0.86 KDM4E (0.42) KDM4EMAPTGLAKITMEN1
SCHEMBL10275786 0.83 KIF11 (0.44) KDM4EKITKDM5AKDM1AKIF11
SCHEMBL10275735 0.82 MDM2 (0.40) KDM4EMEN1KMT2AKDM1AHTT
SCHEMBL10275820 0.82 MEN1 (0.43) KDM4EKITMEN1KMT2AKDM1A
SCHEMBL10275533 0.82 KIF11 (0.43) KITKDM5AKDM1AKIF11DGAT1
SCHEMBL10275689 0.81 GCGR (0.38) KDM4EMAPTKITKMT2ABCAT1
SCHEMBL10276237 0.81 KDM1A (0.37) KITKDM5AKDM1AKIF11DGAT1
SCHEMBL10276567 0.81 GCGR (0.38) KDM4EMAPTKITKMT2ABCAT1

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 KDM4E 3483/4885MAPT 750/4885GLA 1579/4885

“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.