SCHEMBL4568599

SCHEMBL4568599

COc1ccccc1Oc1nc(Nc2ccc(C#N)cc2)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 3/20 0.50
ACP1 P24666 1/20 0.49
MAPT P10636 5/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
NPY5R Q15761 1/20 0.47
NPSR1 Q6W5P4 3/20 0.46
GAA P10253 1/20 0.46
ABCG2 Q9UNQ0 7/20 0.46
LMNA P02545 3/20 0.46
ABCB1 P08183 2/20 0.46
HTT P42858 2/20 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
SCHEMBL4568615 0.88 MERTK (0.50) MERTKACP1MAPTKMT2AMEN1
SCHEMBL4568601 0.87 MAPT (0.59) MERTKACP1MAPTKMT2AMEN1
SCHEMBL4568602 0.85 MERTK (0.54) MERTKACP1MAPTKMT2AMEN1
SCHEMBL4568604 0.83 NPY5R (0.52) MERTKACP1MAPTKMT2AMEN1
SCHEMBL4568600 0.81 ABCG2 (0.51) MERTKACP1MAPTKMT2AMEN1
SCHEMBL4568611 0.80 MAPT (0.50) MERTKACP1MAPTKMT2AMEN1
SCHEMBL7420353 0.77 SMN1; SMN2 (0.64) MERTKACP1MAPTKMT2AMEN1
SCHEMBL4568605 0.77 ABCG2 (0.56) MERTKACP1MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL8890746 0.77 NPY5R (0.77) MERTKACP1MAPTKMT2AMEN1
SCHEMBL8890705 0.76 NPY5R (0.67) MERTKKMT2AMEN1NPY5RABCG2

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 3234/4885ACP1 4155/4885MAPT 2079/4885

“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.