SCHEMBL4813019

SCHEMBL4813019

COc1cc(F)c(-c2c(OC)nc3ncnn3c2-c2ccccc2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.48
ALDH1A1 P00352 11/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
HPGD P15428 6/20 0.48
GAA P10253 4/20 0.48
LMNA P02545 3/20 0.48
GLA P06280 1/20 0.48
MAPK1 P28482 4/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.39
HSD17B10 Q99714 3/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 2/20 0.37
VDR P11473 1/20 0.37
CYP2B6 P20813 1/20 0.37
AHR P35869 1/20 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
SCHEMBL7000368 0.92 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL6994541 0.92 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL6990136 0.91 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL6999259 0.91 ALDH1A1 (0.44) KDM4EALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL4820837 0.90 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL6992631 0.90 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL6991189 0.90 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL6995162 0.89 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL4811916 0.88 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL4815261 0.84 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2HPGDGAA

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 KDM4E 3074/4885ALDH1A1 2231/4885SMN1; SMN2 655/4885

“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.