SCHEMBL10313623

SCHEMBL10313623

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 5/20 0.36
MAPT P10636 5/20 0.36
MAPK1 P28482 4/20 0.36
USP2 O75604 2/20 0.36
TSHR P16473 3/20 0.36
POLB P06746 3/20 0.34
TP53 P04637 2/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 3/20 0.34
CRHR1 P34998 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 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
SCHEMBL10275564 0.85 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL10313621 0.81 TYR (0.36) MAPTMAPK1POLBGAAKDM4E
SCHEMBL10275825 0.78 GRM5 (0.36) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL10313627 0.76 GRM5 (0.36) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL28238198 0.62 ALDH1A1 (0.61) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL27837031 0.61 PI4KA (0.48) MEN1KMT2AALDH1A1MAPK1USP2
SCHEMBL27836998 0.61 PI4KA (0.48) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL10313618 0.60 XDH (0.37) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL377256 0.59 CA1 (0.58) ALDH1A1MAPTMAPK1TSHRTP53
SCHEMBL8980208 0.58 CA1 (0.55) ALDH1A1MAPTMAPK1TSHRTP53

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 MEN1 4229/4885KMT2A 4649/4885ALDH1A1 572/4885

“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.