SCHEMBL5524404

SCHEMBL5524404

CSc1nc(O)c(-c2c(F)cccc2Cl)c(O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSP90AA1 P07900 1/20 0.37
PTGES O14684 3/20 0.37
JAK2 O60674 1/20 0.37
LMNA P02545 3/20 0.36
PDE2A O00408 1/20 0.36
PDE10A Q9Y233 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
MAPK1 P28482 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL2840623 0.84 MEN1 (0.39) PDE7AMEN1KMT2AHSP90AA1PTGES
SCHEMBL4226477 0.76 HSP90AA1 (0.54) MEN1KMT2AHSP90AA1LMNAGAA
SCHEMBL5532703 0.76 MAPK1 (0.49) HSP90AA1LMNAGAASMN1; SMN2MAPK1
SCHEMBL2837940 0.73 CXCR2 (0.36) PDE7AMEN1KMT2AHSP90AA1PTGES
SCHEMBL3580582 0.72 IDH1 (0.36) PDE7AMEN1KMT2A
SCHEMBL27589725 0.72 AURKA (0.39) PDE7AMEN1KMT2AHSP90AA1PTGES
SCHEMBL5530138 0.71 ABL1 (0.40) MEN1KMT2AHSP90AA1GAASMN1; SMN2
SCHEMBL13385411 0.71 SMN1; SMN2 (0.37) PDE7AMEN1KMT2APTGESJAK2
SCHEMBL19802983 0.70 TSHR (0.48) MEN1KMT2AHSP90AA1PTGESJAK2
SCHEMBL5224053 0.70 ALDH1A1 (0.35) PDE7AMEN1KMT2AHSP90AA1PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208037-A1 FUNGICIDAL 5-PHENYL SUBSTITUTED 2-(CYANOAMINO) PYRIMIDINES PEES KLAUS-JUERGEN 2007-09-06 US disclosed
US-7230104-B2 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines BASF AKTIENGESELLSCHAFT (DE) 2007-06-12 US disclosed
CN-1279027-C Fungicidal 5-phenyl substituted 2- (cyanamido) pyrimidines BASF AG (DE) 2006-10-11 CN disclosed
US-20050282828-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines PEES KLAUS-JUERGEN 2005-12-22 US disclosed
US-20050282847-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines PEES KLAUS-JUERGEN 2005-12-22 US disclosed
EP-1577312-A1 Triazolopyrimidine intermediate compounds for fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines BASF AKTIENGESELLSCHAFT (DE) 2005-09-21 EP disclosed
US-6943252-B2 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines BASF AKTIENGESELLSCHAFT (DE) 2005-09-13 US disclosed
EP-1289963-B1 FUNGICIDAL 5-PHENYL SUBSTITUTED 2-(CYANOAMINO) PYRIMIDINES BASF AG (DE) 2005-08-31 EP disclosed
US-20040147744-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines PEES KLAUS-JUERGEN 2004-07-29 US disclosed
US-6632821-B2 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines BASF AKTIENGESELLSCHAFT (DE) 2003-10-14 US disclosed
CN-1443174-A Fungicidal 5-phenyl substituted 2- (cyanamido) pyrimidines BASF AG (DE) 2003-09-17 CN disclosed
US-20030088096-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines BASF AKTIENGESELLSCHAFT 2003-05-08 US disclosed
EP-1289963-A1 FUNGICIDAL 5-PHENYL SUBSTITUTED 2-(CYANOAMINO) PYRIMIDINES BASF AKTIENGESELLSCHAFT (DE) 2003-03-12 EP disclosed
WO-2001096314-A1 FUNGICIDAL 5-PHENYL SUBSTITUTED 2-(CYANOAMINO) PYRIMIDINES BASF AKTIENGESELLSCHAFT (DE) 2001-12-20 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 (5 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-20040147744-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR3, CBR1, NOX5 PDE7A 4434/4885MEN1 4406/4885KMT2A 3639/4885
US-20050282828-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR3, CBR1, CYP3A5 PDE7A 4361/4885MEN1 2917/4885KMT2A 3583/4885
US-20070208037-A1 FUNGICIDAL 5-PHENYL SUBSTITUTED 2-(CYANOAMINO) PYRIMIDINES CBR3, NOX5, CBR1 PDE7A 4345/4885MEN1 4069/4885KMT2A 3579/4885
US-20030088096-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR1, CBR3, ARSA PDE7A 4646/4885MEN1 4520/4885KMT2A 3683/4885
US-20050282847-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR3, NOX5, CBR1 PDE7A 4358/4885MEN1 4124/4885KMT2A 3726/4885

“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.