SCHEMBL4483453

SCHEMBL4483453

C[C@H](Nc1c(-c2c(F)ccc(F)c2F)c(Cl)nc2ncnn12)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
MBOAT4 Q96T53 3/20 0.34
GAA P10253 2/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32
CRHR1 P34998 1/20 0.32
MEN1 O00255 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
SCHEMBL7492723 0.91 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDKMT2APOLB
SCHEMBL4819631 0.90 IDH1 (0.36) ALDH1A1HPGDKMT2APOLBTSHR
SCHEMBL4814986 0.89 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDKMT2APOLB
SCHEMBL4819474 0.87 ALDH1A1 (0.34) ALDH1A1KMT2APOLBTSHRMBOAT4
SCHEMBL13933371 0.86 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDKMT2APOLB
SCHEMBL976390 0.86 MAPK1 (0.35) ALDH1A1KDM4EHPGDKMT2APOLB
SCHEMBL4818612 0.86 MAPK1 (0.35) ALDH1A1KDM4EHPGDKMT2APOLB
SCHEMBL343322 0.86 MAPK1 (0.35) ALDH1A1KDM4EHPGDKMT2APOLB
SCHEMBL7958987 0.85 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDKMT2APOLB
SCHEMBL7496223 0.85 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDKMT2APOLB

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 1838/4885KDM4E 2907/4885HPGD 3634/4885

“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.