SCHEMBL4817636

SCHEMBL4817636

Fc1cc(F)c(-c2c(Cl)nc3ncnn3c2NC2CC3CCC2C3)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 6/20 0.39
GABBR1 Q9UBS5 6/20 0.39
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
MAPK1 P28482 1/20 0.33
PDGFRB P09619 3/20 0.32
PDGFRA P16234 3/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
KDR P35968 1/20 0.32
AURKB Q96GD4 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
SCHEMBL6186174 0.90 PDGFRB (0.38) GABBR2GABBR1MAPK1PDGFRBPDGFRA
SCHEMBL7495679 0.87 GABBR2 (0.39) GABBR2GABBR1ADORA3ADORA2AADORA1
SCHEMBL7962438 0.87 GABBR2 (0.37) GABBR2GABBR1ADORA3ADORA2AADORA1
SCHEMBL6410703 0.86 PDGFRB (0.36) GABBR2GABBR1MAPK1PDGFRBPDGFRA
SCHEMBL6863776 0.82 GABBR2 (0.37) GABBR2GABBR1KDRAURKB
SCHEMBL978477 0.81 KMT2A (0.36) MAPK1MEN1KMT2A
SCHEMBL4821434 0.80 CNR1 (0.43) GABBR2GABBR1MAPK1
SCHEMBL4821115 0.80 GABBR2 (0.34) GABBR2GABBR1GAA
SCHEMBL4819294 0.77 ALDH1A1 (0.43) GABBR2GABBR1PDGFRBPDGFRAMEN1
SCHEMBL7830854 0.76 PDE2A (0.33) MAPK1MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US claimed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US claimed
US-6297251-B1 Fungicidal trifluorophenyl-triazolopyrimidines AMERICAN CYANAMID CO. 2001-10-02 US claimed
EP-0975634-B1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2001-07-04 EP claimed
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US disclosed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US disclosed
US-6297251-B1 Fungicidal trifluorophenyl-triazolopyrimidines AMERICAN CYANAMID CO. 2001-10-02 US disclosed
EP-0975634-B1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2001-07-04 EP disclosed
US-6117876-A Fungicidal trifluorophenyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-09-12 US disclosed
EP-0975634-A1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-02-02 EP disclosed
WO-1998046607-A1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1998-10-22 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-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents TUBB3, TUBA1C, TUBB1 GABBR2 3703/4885GABBR1 3677/4885ADORA3 4598/4885

“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.