SCHEMBL10275865

SCHEMBL10275865

N#Cc1ccc(Cc2nc3c(ncn3-c3ccc(C(F)(F)F)cc3)c(=N)[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
XDH P47989 3/20 0.35
VNN1 O95497 1/20 0.35
SMO Q99835 1/20 0.34
TYMP P19971 2/20 0.34
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
AR P10275 1/20 0.33
IDH1 O75874 1/20 0.33
RORC P51449 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
CYP19A1 P11511 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL10276398 0.72 XDH (0.47) KIF11XDHDGAT1SOAT1KCNH2
SCHEMBL10275484 0.70 KIF11 (0.46) KIF11XDHDGAT1SOAT1KCNH2
SCHEMBL10276071 0.69 EGFR (0.43) KIF11
SCHEMBL10276444 0.69 KIF11 (0.36) KIF11XDHMEN1KMT2ACYP19A1
SCHEMBL10276158 0.69 KIF11 (0.36) KIF11XDHMEN1KMT2ACYP19A1
SCHEMBL1507856 0.68 KIF11 (0.45) KIF11VNN1SMOARIDH1
SCHEMBL31739219 0.68 KIF11 (0.68) KIF11VNN1SMOCYP19A1
SCHEMBL10313883 0.67 KIF11 (0.43) KIF11XDHVNN1DGAT1SOAT1
SCHEMBL23280180 0.67 GRIN1 (0.52) KIF11TYMPDGAT1SOAT1KCNH2
SCHEMBL8106516 0.66 KIF11 (0.54) KIF11VNN1SMODGAT1SOAT1

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 KIF11 4069/4885XDH 8/4885VNN1 2735/4885

“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.