SCHEMBL4479524

SCHEMBL4479524

CN(C)CCCCc1cc(F)c(-c2c(O)nc3ncnn3c2O)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 3/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
ENPP1 P22413 5/20 0.32
UBE2M P61081 2/20 0.31
DCUN1D1 Q96GG9 2/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPK1 P28482 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
PDE2A O00408 1/20 0.30

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
SCHEMBL6068255 0.79 ALDH1A1 (0.32) ENPP1ALDH1A1KDM4EPKMLMNA
SCHEMBL14108156 0.77 KDM4E (0.43) ENPP1ALDH1A1KDM4EPKMLMNA
SCHEMBL3277090 0.77 MAPK1 (0.39) ENPP1ALDH1A1KDM4EPKMMAPK1
SCHEMBL4489213 0.74 EGLN2 (0.31) EGLN2ALDH1A1
SCHEMBL4473310 0.74 EGLN2 (0.31) EGLN2ALDH1A1
SCHEMBL4486324 0.74 EGLN2 (0.31) EGLN2ALDH1A1
SCHEMBL6186514 0.74 SMN1; SMN2 (0.41) ENPP1ALDH1A1KDM4ELMNACYP1A2
SCHEMBL6068253 0.72 ALDH1A1 (0.32) ALDH1A1KDM4EPKMMAPK1
SCHEMBL4265487 0.68 EGLN2 (0.36) EGLN2ENPP1ALDH1A1KDM4EPKM
SCHEMBL7493866 0.68 KDM4E (0.35) EGLN2ALDH1A1KDM4EMAPK1PDE2A

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
US-7507739-B2 6-[(substituted)phenyl]triazolopyrimidines as anticancer agents WYETH (US) 2009-03-24 US disclosed
EP-1680425-B1 6- [(SUBSTITUTED)PHENYL] TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH CORP (US) 2007-01-10 EP disclosed
EP-1680425-A1 6- [(SUBSTITUTED)PHENYL] TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS Wyeth Holdings Corporation (US) 2006-07-19 EP disclosed
US-20050090508-A1 6-[(Substituted)phenyl]triazolopyrimidines as anticancer agents WYETH HOLDINGS CORPORATION (US) 2005-04-28 US disclosed
WO-2005030775-A1 6-[(SUBSTITUTED)PHENYL]TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH HOLDINGS CORPORATION (US) 2005-04-07 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-20050090508-A1 6-[(Substituted)phenyl]triazolopyrimidines as anticancer agents ABCC1, ABCB1, TUBB6 EGLN2 3675/4885NOS3 4321/4885NOS1 4666/4885

“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.