SCHEMBL4568601

SCHEMBL4568601

COc1ccc(Oc2nc(Nc3ccc(C#N)cc3)nc3ccccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
KMT2A Q03164 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
MEN1 O00255 3/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPK1 P28482 2/20 0.59
NPC1 O15118 1/20 0.59
TP53 P04637 1/20 0.59
RAB9A P51151 1/20 0.59
ACP1 P24666 1/20 0.59
NPY5R Q15761 1/20 0.58
MERTK Q12866 7/20 0.57
LMNA P02545 3/20 0.57
HTT P42858 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
POLB P06746 2/20 0.54
HPGD P15428 2/20 0.54
TAAR1 Q96RJ0 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CYP1A2 P05177 1/20 0.54

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) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL4568604 0.91 NPY5R (0.52) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL4568600 0.89 ABCG2 (0.51) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL4568599 0.87 MERTK (0.50) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL8890746 0.85 NPY5R (0.77) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL4568611 0.84 MAPT (0.50) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL4568615 0.83 MERTK (0.50) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8890705 0.77 NPY5R (0.67) KMT2AMEN1NPY5RMERTKHTT
SCHEMBL7420353 0.76 SMN1; SMN2 (0.64) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL8889951 0.76 NPY5R (0.66) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1

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 MAPT 2079/4885KMT2A 3566/4885SMN1; SMN2 3820/4885

“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.