SCHEMBL10313636

SCHEMBL10313636

[C-]#[N+]c1ccc(-n2cnc3c(NN)nc(-c4ccc(F)cc4F)nc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.36
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
CTSH P09668 1/20 0.33
CTSS P25774 1/20 0.33
CASP1 P29466 1/20 0.33
CTSK P43235 1/20 0.33
CTSC P53634 1/20 0.33
CTSZ Q9UBR2 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CSNK1D P48730 3/20 0.32
CSNK1E P49674 2/20 0.32
KIF5C O60282 1/20 0.32
KIF11 P52732 1/20 0.32
KIF5A Q12840 1/20 0.32
CFTR P13569 1/20 0.31
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 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
SCHEMBL10313630 0.89 PI4KA (0.40) MAPK14PTGS1PTGS2KIF5CKIF11
SCHEMBL10313898 0.84 CTSV (0.39) MAPK14CTSVCTSLCTSHCTSS
SCHEMBL10313633 0.75 XDH (0.42) PTGS1PTGS2
SCHEMBL10276251 0.72 PI4KA (0.40) MAPK14CTSVCTSLCTSHCTSS
SCHEMBL10313642 0.68 CYP17A1 (0.38) KIF5CKIF11KIF5API4KAPI4K2B
SCHEMBL10313629 0.65 PI4KA (0.41) CFTRPI4KAPI4K2BPI4K2API4KB
SCHEMBL6247904 0.63 MAPK14 (0.56) MAPK14
SCHEMBL10313616 0.63 PI4KA (0.32) PI4KAPI4K2BPI4K2API4KB
SCHEMBL27870411 0.62 CFTR (0.49) CFTRPI4KAPI4K2BPI4K2API4KB
SCHEMBL10313883 0.61 KIF11 (0.43) CTSVCTSLCTSHCTSSCASP1

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 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 MAPK14 2663/4885CTSV 2717/4885CTSL 1722/4885

“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.