SCHEMBL4484604

SCHEMBL4484604

C[C@@H](Nc1c(-c2c(F)cc(NCCN(C)C)cc2F)c(Cl)nc2ncnn12)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
EGLN2 Q96KS0 3/20 0.36
ALDH1A1 P00352 3/20 0.31
TSHR P16473 2/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4492499 1.00 SMN1; SMN2 (0.38) SMN1; SMN2EGLN2ALDH1A1TSHRPOLB
SCHEMBL4477784 1.00 SMN1; SMN2 (0.38) SMN1; SMN2EGLN2ALDH1A1TSHRPOLB
SCHEMBL4478035 0.95 EGLN2 (0.38) SMN1; SMN2EGLN2ALDH1A1TSHRPOLB
SCHEMBL4487797 0.95 EGLN2 (0.38) SMN1; SMN2EGLN2ALDH1A1TSHRPOLB
SCHEMBL5237546 0.95 EGLN2 (0.38) SMN1; SMN2EGLN2ALDH1A1TSHRPOLB
SCHEMBL4472793 0.86 EGLN2 (0.36) SMN1; SMN2EGLN2ALDH1A1TSHRPOLB
SCHEMBL4492532 0.86 EGLN2 (0.36) SMN1; SMN2EGLN2ALDH1A1TSHRPOLB
SCHEMBL4488076 0.86 EGLN2 (0.36) SMN1; SMN2EGLN2ALDH1A1TSHRPOLB
SCHEMBL4477886 0.86 TSHR (0.30) ALDH1A1TSHRPOLBKMT2A
SCHEMBL4489138 0.86 TSHR (0.30) ALDH1A1TSHRPOLBKMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680425-B1 6- [(SUBSTITUTED)PHENYL] TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH CORP (US) 2007-01-10 EP claimed
EP-1680425-A1 6- [(SUBSTITUTED)PHENYL] TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS Wyeth Holdings Corporation (US) 2006-07-19 EP claimed
US-20050090508-A1 6-[(Substituted)phenyl]triazolopyrimidines as anticancer agents WYETH HOLDINGS CORPORATION (US) 2005-04-28 US claimed
WO-2005030775-A1 6-[(SUBSTITUTED)PHENYL]TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH HOLDINGS CORPORATION (US) 2005-04-07 WO claimed
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 SMN1; SMN2 1517/4885EGLN2 3675/4885ALDH1A1 1838/4885

“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.