SCHEMBL4813005

SCHEMBL4813005

COc1cc(F)c(-c2c(OC)nc3ncnn3c2C2CCCCC2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 18/20 0.44
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.36

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
SCHEMBL4811279 0.99 PDE2A (0.44) PDE2ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL6994533 0.92 PDE2A (0.40) PDE2A
SCHEMBL6990130 0.92 PDE2A (0.43) PDE2ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL6999255 0.91 PDE2A (0.41) PDE2ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL7001331 0.90 PDE2A (0.39) PDE2ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL6993982 0.90 PDE2A (0.39) PDE2ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL6993988 0.90 PDE2A (0.39) PDE2ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL4820826 0.90 PDE2A (0.40) PDE2A
SCHEMBL6992536 0.90 PDE2A (0.41) PDE2ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL6992543 0.90 PDE2A (0.41) PDE2ASMN1; SMN2KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US claimed
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US disclosed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 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-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents TUBB3, TUBA1C, TUBB1 PDE2A 3218/4885SMN1; SMN2 655/4885KDM4E 3074/4885

“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.