SCHEMBL10313624

SCHEMBL10313624

[C-]#[N+]c1ccc(-n2c(C)nc3c(=N)n(/N=C\c4ccc(C(F)(F)F)cc4)cnc32)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
PI4KA P42356 1/20 0.30
PI4K2B Q8TCG2 1/20 0.30
PI4K2A Q9BTU6 1/20 0.30
PI4KB Q9UBF8 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
SCHEMBL10275825 0.92 GRM5 (0.36) GRM5MEN1KMT2APOLBMAPT
SCHEMBL10313627 0.89 GRM5 (0.36) GRM5MEN1KMT2APOLBMAPT
SCHEMBL10313623 0.87 MEN1 (0.44) MEN1KMT2APOLBMAPT
SCHEMBL10313615 0.84 KMT2A (0.32) MEN1KMT2API4KAPI4K2BPI4K2A
SCHEMBL10276120 0.78 GLA (0.34) GRM5POLBMAPT
SCHEMBL10313621 0.76 TYR (0.36) POLBMAPT
SCHEMBL10275724 0.75 ADORA2A (0.39) POLBMAPT
SCHEMBL10275894 0.74 PI4KA (0.36) GRM5MEN1KMT2AMAPTPI4KA
SCHEMBL10313618 0.74 XDH (0.37) GRM5MEN1KMT2APOLBMAPT
SCHEMBL12826372 0.73 ADORA2A (0.33)

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 GRM5 2021/4885MEN1 4229/4885KMT2A 4649/4885

“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.