SCHEMBL10313614

SCHEMBL10313614

[C-]#[N+]c1ccc(-n2cnc3c(=N)n(/N=C\c4ccc(N)cc4)cnc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 4/20 0.33
PI4K2B Q8TCG2 4/20 0.33
PI4K2A Q9BTU6 4/20 0.33
PI4KB Q9UBF8 4/20 0.33
EGFR P00533 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
KDR P35968 1/20 0.31
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
XDH P47989 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
SCHEMBL10313615 0.89 KMT2A (0.32) PI4KAPI4K2BPI4K2API4KBNPSR1
SCHEMBL10275364 0.83 RAB9A (0.33) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL10275894 0.79 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL10313618 0.74 XDH (0.37) PI4KAPI4K2BPI4K2API4KBNPSR1
SCHEMBL10313617 0.73 RAB9A (0.36) NPSR1KDRXDH
SCHEMBL10313624 0.73 GRM5 (0.32) PI4KAPI4K2BPI4K2API4KB
SCHEMBL10276158 0.72 KIF11 (0.36) PI4KAPI4K2BPI4K2API4KBNPSR1
SCHEMBL10313623 0.71 MEN1 (0.44)
SCHEMBL10275265 0.65 CYP17A1 (0.32) KDR
SCHEMBL10313619 0.64 NFE2L2 (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 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.