SCHEMBL10313629

SCHEMBL10313629

[C-]#[N+]c1ccc(-n2cnc3c(N)nc(-c4ccc(C(F)(F)F)cc4)nc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 4/20 0.41
PI4K2B Q8TCG2 4/20 0.41
PI4K2A Q9BTU6 4/20 0.41
PI4KB Q9UBF8 4/20 0.41
CFTR P13569 2/20 0.41
XDH P47989 5/20 0.38
DPP4 P27487 2/20 0.37
EGFR P00533 1/20 0.34
NSD2 O96028 1/20 0.34
NSD3 Q9BZ95 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
DHFR P00374 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADORA1 P30542 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL10275484 0.82 KIF11 (0.46) PI4KAPI4K2BPI4K2API4KBCFTR
SCHEMBL10313630 0.76 PI4KA (0.40) PI4KAPI4K2BPI4K2API4KBCFTR
SCHEMBL10313632 0.76 XDH (0.47) XDH
SCHEMBL10313883 0.71 KIF11 (0.43) XDHADORA3ADORA2A
SCHEMBL10313641 0.70 XDH (0.42) XDHADORA3ADORA2A
SCHEMBL19820583 0.68 CHKA (0.45) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL13019483 0.67 KIF11 (0.54)
SCHEMBL10313636 0.65 MAPK14 (0.36) PI4KAPI4K2BPI4K2API4KBCFTR
SCHEMBL323825 0.65 ALDH1A1 (0.43)
SCHEMBL15756669 0.65 CDK1 (0.50) PI4KAPI4K2BPI4K2API4KBADORA2A

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 PI4KA 2350/4885PI4K2B 3385/4885PI4K2A 3326/4885

“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.