SCHEMBL10275564

SCHEMBL10275564

COc1ccc(/C=N\n2cnc3c(nc(C)n3-c3ccc(C#N)cc3)c2=N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 5/20 0.37
NPSR1 Q6W5P4 3/20 0.37
POLB P06746 2/20 0.37
TDP2 O95551 1/20 0.36
USP2 O75604 2/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 2/20 0.36
GSK3B P49841 1/20 0.36
TSHR P16473 2/20 0.36
CRHR1 P34998 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CYP19A1 P11511 1/20 0.34
MAPKAPK2 P49137 1/20 0.33

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
SCHEMBL10313626 0.91 CRHR1 (0.37) MEN1KMT2AALDH1A1NPSR1POLB
SCHEMBL10275922 0.87 CRHR1 (0.35) MEN1KMT2AALDH1A1CRHR1RAB9A
SCHEMBL10275684 0.87 CRHR1 (0.35) MEN1KMT2AALDH1A1CRHR1RAB9A
SCHEMBL10313623 0.85 MEN1 (0.44) MEN1KMT2AALDH1A1POLBUSP2
SCHEMBL10275291 0.81 ADORA2A (0.39)
SCHEMBL10275825 0.78 GRM5 (0.36) MEN1KMT2ANPSR1POLBMAPK1
SCHEMBL10275526 0.78 PIK3CA (0.41) MEN1KMT2AALDH1A1POLBMAPK1
SCHEMBL10313627 0.76 GRM5 (0.36) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL10313617 0.75 RAB9A (0.36) MEN1KMT2AALDH1A1NPSR1MAPT
SCHEMBL12826386 0.73 ALDH1A1 (0.35) MEN1KMT2AALDH1A1NPSR1POLB

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 2 patents. 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 claimed
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.