SCHEMBL4764892

SCHEMBL4764892

N#Cc1c(N)oc2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 2/20 0.44
ALDH1A1 P00352 13/20 0.43
HSD17B10 Q99714 10/20 0.43
MAPT P10636 5/20 0.43
ALOX15 P16050 5/20 0.43
GAA P10253 4/20 0.43
MAPK1 P28482 3/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
POLB P06746 3/20 0.42
CASP1 P29466 2/20 0.42
PABPC1 P11940 1/20 0.42
KDM4E B2RXH2 12/20 0.41
HPGD P15428 6/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 4/20 0.37
LMNA P02545 2/20 0.37
ALOX12 P18054 2/20 0.37

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
SCHEMBL12908875 0.69 ALDH1A1 (0.34) ALDH1A1HSD17B10MAPTALOX15GAA
SCHEMBL937742 0.69 BPTF (0.42) BPTFALDH1A1HSD17B10MAPTALOX15
SCHEMBL9748593 0.66 MAPK1 (0.50) BPTFALDH1A1HSD17B10MAPTALOX15
SCHEMBL19474937 0.64 ALDH1A1 (0.47) BPTFALDH1A1HSD17B10MAPTALOX15
SCHEMBL620749 0.61 BPTF (1.00) BPTFALDH1A1HSD17B10MAPTALOX15
SCHEMBL9748738 0.61 MAPK1 (0.45) BPTFALDH1A1HSD17B10MAPTALOX15
SCHEMBL9901226 0.61 BPTF (0.43) BPTFALDH1A1HSD17B10MAPTALOX15
SCHEMBL1719516 0.60 ALDH1A1 (1.00) BPTFALDH1A1HSD17B10MAPTALOX15
SCHEMBL31381502 0.60 BPTF (0.96) BPTFALDH1A1HSD17B10MAPTALOX15
SCHEMBL12057602 0.60 MAPT (0.37) ALDH1A1HSD17B10MAPTALOX15GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432715-B1 PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2008-03-19 EP disclosed
US-7312224-B2 Pyrimidine derivatives MERCK PATENT GMBH (DE) 2007-12-25 US disclosed
US-20040242595-A1 Pyrimidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-12-02 US disclosed
EP-1432715-A2 PYRIMIDINE DERIVATIVES MERCK PATENT GmbH (DE) 2004-06-30 EP disclosed
WO-2003031447-A2 PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2003-04-17 WO 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-20040242595-A1 Pyrimidine derivatives TYMP, DPYD, TYMS BPTF 4283/4885ALDH1A1 671/4885HSD17B10 2095/4885

“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.