SCHEMBL4568602

SCHEMBL4568602

N#Cc1ccc(Nc2nc(Oc3ccccc3)c3ccccc3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 2/20 0.54
ABCG2 Q9UNQ0 5/20 0.50
ABCB1 P08183 1/20 0.49
PIN1 Q13526 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
ACP1 P24666 1/20 0.47
RAF1 P04049 1/20 0.47
MAP2K1 Q02750 1/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
KCNH2 Q12809 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 1/20 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
SCHEMBL4568600 0.92 ABCG2 (0.51) MERTKABCG2ABCB1PIN1CSNK1A1
SCHEMBL4568601 0.92 MAPT (0.59) MERTKACP1LMNAHTTRAB9A
SCHEMBL4568604 0.92 NPY5R (0.52) MERTKABCG2ABCB1PIN1CSNK1A1
SCHEMBL4568611 0.89 MAPT (0.50) MERTKABCG2ABCB1CSNK1A1CSNK1D
SCHEMBL4568599 0.85 MERTK (0.50) MERTKABCG2ABCB1ACP1LMNA
SCHEMBL4568615 0.85 MERTK (0.50) MERTKABCG2ABCB1ACP1LMNA
SCHEMBL8898863 0.79 NPY5R (0.74) MERTKABCG2ABCB1LMNAKMT2A
SCHEMBL7420353 0.79 SMN1; SMN2 (0.64) MERTKABCG2ABCB1ACP1RAB9A
SCHEMBL4568605 0.79 ABCG2 (0.56) MERTKABCG2ABCB1ACP1KCNH2
Hydrochloric Acid SCHEMBL8890523 0.77 NPY5R (0.72) MERTKABCG2LMNAHTTRAB9A

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 MERTK 3234/4885ABCG2 136/4885ABCB1 634/4885

“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.