SCHEMBL4568611

SCHEMBL4568611

Cc1cccc(Oc2nc(Nc3ccc(C#N)cc3)nc3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
LMNA P02545 4/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MERTK Q12866 2/20 0.47
ACP1 P24666 1/20 0.46
SLC2A1 P11166 1/20 0.46
ABCG2 Q9UNQ0 4/20 0.45
ABCB1 P08183 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ABCC3 O15438 1/20 0.44
ESR1 P03372 1/20 0.44
CYP1A2 P05177 1/20 0.44

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 0.89 MERTK (0.54) MAPTLMNAMERTKACP1ABCG2
SCHEMBL4568604 0.88 NPY5R (0.52) MAPTLMNAL3MBTL1MERTKACP1
SCHEMBL4568601 0.84 MAPT (0.59) MAPTLMNANPSR1L3MBTL1MERTK
SCHEMBL4568615 0.82 MERTK (0.50) MAPTLMNAMERTKACP1SLC2A1
SCHEMBL4568600 0.81 ABCG2 (0.51) MAPTLMNAMERTKACP1ABCG2
SCHEMBL4568599 0.80 MERTK (0.50) MAPTLMNANPSR1MERTKACP1
SCHEMBL4568605 0.78 ABCG2 (0.56) MAPTL3MBTL1MERTKACP1ABCG2
SCHEMBL7420353 0.76 SMN1; SMN2 (0.64) MAPTMERTKACP1ABCG2ABCB1
SCHEMBL8890705 0.74 NPY5R (0.67) MERTKABCG2ABCB1KMT2AMEN1
Hydrochloric Acid SCHEMBL8889951 0.74 NPY5R (0.66) MAPTLMNANPSR1MERTKABCG2

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 2079/4885LMNA 3365/4885NPSR1 3377/4885

“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.