SCHEMBL4900907

SCHEMBL4900907

c1cc(-c2ccnc(NCCCn3ccnc3)n2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 3/20 0.48
SOD1 P00441 3/20 0.48
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 4/20 0.47
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
MKNK1 Q9BUB5 2/20 0.45
ALDH1A1 P00352 4/20 0.44
TP53 P04637 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 2/20 0.44
EGFR P00533 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
SRC P12931 1/20 0.44
PRKCA P17252 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
SCHEMBL4905737 0.86 ABL1 (0.61) SMN1; SMN2EGFRABL1BCRSRC
SCHEMBL5093896 0.84 TBXAS1 (0.53) NPC1SMN1; SMN2GSK3BALDH1A1SCN9A
SCHEMBL13039339 0.78 ALDH1A1 (0.42) QPCTSOD1NPC1SMN1; SMN2KDM4E
SCHEMBL11988193 0.78 ALDH1A1 (0.49) QPCTSOD1NPC1KDM4EALDH1A1
SCHEMBL7451097 0.77 PRKCA (0.51) NPC1KDM4EMKNK1MAPK1ABL1
SCHEMBL3630264 0.77 GSK3A (0.53) QPCTSOD1NPC1SMN1; SMN2KDM4E
SCHEMBL1088528 0.76 CXCR4 (0.60) QPCTSOD1SMN1; SMN2MKNK1ALDH1A1
SCHEMBL9849546 0.75 ALDH1A1 (0.58) QPCTSOD1NPC1SMN1; SMN2KDM4E
SCHEMBL4904589 0.75 MKNK1 (0.45) KDM4EMKNK1ALDH1A1TP53HPGD
SCHEMBL3626572 0.75 ALDH1A1 (0.51) QPCTSOD1NPC1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2008-11-20 US claimed
US-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2008-11-20 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-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT3A, CTNNB1, WNT1 QPCT 4287/4885SOD1 4393/4885NPC1 968/4885

“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.