SCHEMBL10313615

SCHEMBL10313615

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

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
GAA P10253 1/20 0.32
XDH P47989 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDR P35968 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL10275894 0.92 PI4KA (0.36) KMT2AMEN1PI4KAPI4K2BPI4K2A
SCHEMBL10313618 0.86 XDH (0.37) KMT2AMEN1PI4KAPI4K2BPI4K2A
SCHEMBL10276444 0.84 KIF11 (0.36) KMT2AMEN1PI4KAPI4K2BPI4K2A
SCHEMBL10275402 0.76 CYP1A1 (0.35) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL10275825 0.74 GRM5 (0.36) KMT2AMEN1PI4KAPI4K2BPI4K2A
SCHEMBL10275686 0.73 ADORA2A (0.42) GAA
SCHEMBL10275364 0.72 RAB9A (0.33) KMT2AMEN1PI4KAPI4K2BPI4K2A
SCHEMBL10313623 0.70 MEN1 (0.44) KMT2AMEN1GAA
SCHEMBL10313629 0.68 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL10313632 0.67 XDH (0.47) KMT2AMEN1XDH

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 KMT2A 4649/4885MEN1 4229/4885PI4KA 2350/4885

“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.