SCHEMBL10313619

SCHEMBL10313619

Cc1ccc(-n2cnc3c(=N)n(/N=C\c4ccc(F)cc4F)cnc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.36
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
XDH P47989 1/20 0.33
AMY1A P0DUB6 2/20 0.32
HCAR1 Q9BXC0 1/20 0.31
GRIN2D O15399 2/20 0.31
GRIN3B O60391 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
GRIN2B Q13224 2/20 0.31
GRIN2C Q14957 2/20 0.31
GRIN3A Q8TCU5 2/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
FGFR1 P11362 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL10275402 0.90 CYP1A1 (0.35) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL10276388 0.87 CTSV (0.32) PI4KAPI4K2BPI4K2API4KB
SCHEMBL10313616 0.87 PI4KA (0.32) PI4KAPI4K2BPI4K2API4KB
SCHEMBL10313620 0.85 CYP17A1 (0.35) PI4KAPI4K2BPI4K2API4KBAMY1A
SCHEMBL10313618 0.78 XDH (0.37) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL10276154 0.76 GLA (0.39) AMY1AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10275526 0.74 PIK3CA (0.41) POLBMAPT
SCHEMBL10313617 0.74 RAB9A (0.36) XDHMAPTRAB9A
SCHEMBL10276158 0.65 KIF11 (0.36) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL10276444 0.65 KIF11 (0.36) PI4KAPI4K2BPI4K2API4KBXDH

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 NFE2L2 3242/4885PI4KA 2350/4885PI4K2B 3385/4885

“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.