SCHEMBL4568604

SCHEMBL4568604

Cc1ccc(Oc2nc(Nc3ccc(C#N)cc3)nc3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.52
MAPT P10636 3/20 0.50
MAPK1 P28482 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
MERTK Q12866 2/20 0.49
ACP1 P24666 1/20 0.48
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.46
PGK1 P00558 1/20 0.46
LMNA P02545 3/20 0.46
ABCG2 Q9UNQ0 3/20 0.46

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
SCHEMBL4568602 0.92 MERTK (0.54) NPY5RMAPTMAPK1NPC1RAB9A
SCHEMBL4568601 0.91 MAPT (0.59) NPY5RMAPTMAPK1NPC1RAB9A
SCHEMBL4568600 0.89 ABCG2 (0.51) NPY5RMAPTMAPK1NPC1RAB9A
SCHEMBL4568611 0.88 MAPT (0.50) NPY5RMAPTMAPK1NPC1RAB9A
SCHEMBL4568615 0.85 MERTK (0.50) NPY5RMAPTMAPK1NPC1RAB9A
SCHEMBL4568599 0.83 MERTK (0.50) NPY5RMAPTMAPK1NPC1RAB9A
SCHEMBL7420353 0.79 SMN1; SMN2 (0.64) NPY5RMAPTMAPK1NPC1RAB9A
SCHEMBL4568605 0.78 ABCG2 (0.56) NPY5RMAPTMAPK1NPC1RAB9A
Hydrochloric Acid SCHEMBL8890746 0.76 NPY5R (0.77) NPY5RMAPTMAPK1NPC1RAB9A
SCHEMBL8898863 0.74 NPY5R (0.74) NPY5RMAPTKMT2AALDH1A1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809343-B2 Pyrimidine derivative, preparation method and use thereof FUDAN UNIVERSITY (CN) 2014-08-19 US disclosed
US-8809343-B2 Pyrimidine derivative, preparation method and use thereof FUDAN UNIVERSITY (CN) 2014-08-19 US disclosed
US-20120122902-A1 PYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF FUDAN UNIVERSITY (CN) 2012-05-17 US disclosed
US-20120122902-A1 PYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF FUDAN UNIVERSITY (CN) 2012-05-17 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-20120122902-A1 PYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF DPYD, TYMP, TYMS NPY5R 3482/4885MAPT 2079/4885MAPK1 3215/4885

“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.