SCHEMBL4815261

SCHEMBL4815261

COCCOc1cc(F)c(-c2c(OCCOC)nc3ncnn3c2-c2ccccc2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.40
ALDH1A1 P00352 8/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 3/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
SQOR Q9Y6N5 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 2/20 0.36
TSHR P16473 1/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
PDE2A O00408 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL4820837 0.95 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL6990136 0.84 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL4813019 0.84 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL6992631 0.83 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL6995162 0.82 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL7000368 0.81 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL6994541 0.81 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL6996527 0.80 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL6999259 0.80 ALDH1A1 (0.44) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL6991189 0.78 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2HPGDLMNA

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.