SCHEMBL4819367

SCHEMBL4819367

COc1cc(F)c(-c2c(Cl)nc3ncnn3c2NC2CCCC2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BCL6 P41182 1/20 0.34
CRHR1 P34998 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
GALR3 O60755 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6187065 0.96 SMN1; SMN2 (0.38) PDE2ASMN1; SMN2MAPK1HPGDALDH1A1
SCHEMBL978477 0.88 KMT2A (0.36) PDE2ASMN1; SMN2MAPK1HPGDALDH1A1
SCHEMBL6410703 0.86 PDGFRB (0.36) PDE2ASMN1; SMN2MAPK1CRHR1KMT2A
SCHEMBL8805553 0.83 ALDH1A1 (0.47) PDE2ASMN1; SMN2MAPK1HPGDALDH1A1
SCHEMBL5593123 0.83 PDE2A (0.37) PDE2ABCL6KMT2ANPC1CYP1A2
SCHEMBL6186989 0.83 CRHR1 (0.40) PDE2ASMN1; SMN2MAPK1HPGDALDH1A1
SCHEMBL6186174 0.83 PDGFRB (0.38) PDE2ASMN1; SMN2MAPK1CRHR1KMT2A
SCHEMBL5593507 0.82 BCL6 (0.38) PDE2ASMN1; SMN2BCL6CDK2GSK3B
SCHEMBL4811909 0.81 PDE2A (0.43) PDE2ASMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL13920303 0.81 PDE2A (0.43) PDE2ASMN1; SMN2HPGDALDH1A1KDM4E

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 16 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
EP-1066291-B8 FUNGICIDAL 6-(2-HALO-4-ALKOXYPHENYL)-TRIAZOLOPYRIMIDINES BASF AG (DE) 2005-09-14 EP claimed
EP-1574513-A1 Fungicidal 6-(2-halo-4-alkoxyphenyl)-triazolopyrimidines Wyeth (US) 2005-09-14 EP claimed
EP-1066291-B1 FUNGICIDAL 6-(2-HALO-4-ALKOXYPHENYL)-TRIAZOLOPYRIMIDINES BASF AG (DE) 2005-07-13 EP claimed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US claimed
EP-1066291-A1 FUNGICIDAL 6-(2-HALO-4-ALKOXYPHENYL)-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2001-01-10 EP claimed
US-5981534-A USE IN AGRICULTURE OR RELATED FIELDS FOR THE CONTROL OF PHYTOPATHOGENIC FUNGI SUCH AS ALTEMARIA SOLANI, BOTRYTIS CINEREA AMERICAN CYANAMID COMPANY (US) 1999-11-09 US claimed
WO-1999048893-A1 FUNGICIDAL 6-(2-HALO-4-ALKOXYPHENYL)-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1999-09-30 WO claimed
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US disclosed
EP-1574513-A1 Fungicidal 6-(2-halo-4-alkoxyphenyl)-triazolopyrimidines Wyeth (US) 2005-09-14 EP disclosed
EP-1066291-B1 FUNGICIDAL 6-(2-HALO-4-ALKOXYPHENYL)-TRIAZOLOPYRIMIDINES BASF AG (DE) 2005-07-13 EP disclosed
EP-1307200-A2 SUBSTITUTED-TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS Wyeth (US) 2003-05-07 EP disclosed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US disclosed
WO-2002002563-A2 SUBSTITUTED-TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH (US) 2002-01-10 WO disclosed
US-6284762-B1 AGRICULTURE AMERICAN CYANAMID COMPANY 2001-09-04 US disclosed
US-5981534-A USE IN AGRICULTURE OR RELATED FIELDS FOR THE CONTROL OF PHYTOPATHOGENIC FUNGI SUCH AS ALTEMARIA SOLANI, BOTRYTIS CINEREA AMERICAN CYANAMID COMPANY (US) 1999-11-09 US 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 PDE2A 3218/4885SMN1; SMN2 655/4885MAPK1 916/4885

“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.