SCHEMBL4492293

SCHEMBL4492293

OCCCOc1cc(F)c(-c2c(Cl)nc3ncnn3c2-c2ccccc2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
POLB P06746 3/20 0.37
TSHR P16473 3/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 8/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 3/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
FFAR1 O14842 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
AURKA O14965 2/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL4494003 0.87 LSS (0.40) ALDH1A1POLBTSHRKMT2AKDM4E
SCHEMBL4475964 0.87 ALDH1A1 (0.42) ALDH1A1POLBTSHRKMT2AKDM4E
SCHEMBL4811916 0.84 ALDH1A1 (0.47) ALDH1A1POLBTSHRKMT2AKDM4E
SCHEMBL973763 0.83 ALDH1A1 (0.43) ALDH1A1POLBTSHRKMT2AKDM4E
SCHEMBL4484746 0.82 ALDH1A1 (0.34) ALDH1A1POLBTSHRKMT2A
SCHEMBL7165653 0.80 ALDH1A1 (0.42) ALDH1A1POLBTSHRKMT2AKDM4E
SCHEMBL4815261 0.77 KDM4E (0.40) ALDH1A1POLBTSHRKMT2AKDM4E
SCHEMBL4820813 0.77 ALDH1A1 (0.43) ALDH1A1POLBTSHRKMT2AKDM4E
SCHEMBL3223567 0.77 LSS (0.41) ALDH1A1POLBTSHRKMT2AKDM4E
SCHEMBL4492289 0.77 PDE2A (0.35)

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 ALDH1A1 1838/4885POLB 1330/4885TSHR 3624/4885

“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.