SCHEMBL4492166

SCHEMBL4492166

CN(C)CCCOc1cc(F)c(-c2c(Cl)nc3ncnn3c2NCC(F)(F)F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32
MBOAT4 Q96T53 4/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31

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
Hydrochloric Acid SCHEMBL4488768 0.99 EGLN2 (0.35) EGLN2SMN1; SMN2MAPTMBOAT4NR1H2
Hydrochloric Acid SCHEMBL4488767 0.98 EGLN2 (0.34) EGLN2SMN1; SMN2MAPTMBOAT4NR1H2
SCHEMBL3220251 0.89 MBOAT4 (0.34) SMN1; SMN2MBOAT4ALDH1A1POLBTSHR
SCHEMBL4483618 0.88 ALDH1A1 (0.35) SMN1; SMN2MBOAT4ALDH1A1POLBTSHR
Hydrochloric Acid SCHEMBL4501402 0.87 ALDH1A1 (0.35) SMN1; SMN2MBOAT4ALDH1A1POLBTSHR
Hydrochloric Acid SCHEMBL4501398 0.86 MBOAT4 (0.34) SMN1; SMN2MBOAT4ALDH1A1POLBTSHR
SCHEMBL3223848 0.86 EGLN2 (0.32) EGLN2SMN1; SMN2MAPTMBOAT4NR1H2
SCHEMBL4479448 0.86 EGLN2 (0.32) EGLN2SMN1; SMN2MAPTMBOAT4NR1H2
SCHEMBL3223842 0.86 EGLN2 (0.32) EGLN2SMN1; SMN2MAPTMBOAT4NR1H2
SCHEMBL22800552 0.86 EGLN2 (0.34) EGLN2SMN1; SMN2MAPTALDH1A1POLB

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
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
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 3675/4885SMN1; SMN2 1517/4885MAPT 89/4885

“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.