SCHEMBL5526686

SCHEMBL5526686

CSc1nc(Cl)c(-c2ccccc2)c(N2CCC(C)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.46
HTT P42858 4/20 0.46
KMT2A Q03164 4/20 0.44
TSHR P16473 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 7/20 0.41
HPGD P15428 2/20 0.41
NPY5R Q15761 1/20 0.41
CNR2 P34972 1/20 0.41
TP53 P04637 3/20 0.41
USP2 O75604 1/20 0.41
SLC9A1 P19634 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39

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
SCHEMBL10646149 0.84 KDM4E (0.45) NPSR1HTTALDH1A1KDM4EMAPT
SCHEMBL9047001 0.84 KDM4E (0.45) NPSR1KMT2ATSHRALDH1A1KDM4E
SCHEMBL14276601 0.80 SLC9A1 (0.52) ALDH1A1KDM4EMAPTNPY5RSLC9A1
SCHEMBL5526688 0.80 NPY5R (0.44) NPSR1HTTKMT2ATSHRALDH1A1
SCHEMBL5473951 0.80 LMNA (0.53) NPSR1HTTKMT2ATSHRALDH1A1
SCHEMBL5525205 0.78 NPSR1 (0.44) NPSR1HTTKMT2ATSHRALDH1A1
SCHEMBL5526920 0.76 NPSR1 (0.43) NPSR1HTTKMT2ATSHRALDH1A1
SCHEMBL5525304 0.76 NPSR1 (0.43) NPSR1HTTKMT2ATSHRALDH1A1
SCHEMBL4844072 0.76 KDM4E (0.49) NPSR1HTTKMT2AALDH1A1KDM4E
SCHEMBL6390066 0.74 MAPT (0.41) NPSR1HTTKMT2ATSHRMAPT

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 12 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
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
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 NPSR1 918/4885HTT 4099/4885KMT2A 3639/4885
US-20050282828-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR3, CBR1, CYP3A5 NPSR1 1110/4885HTT 4218/4885KMT2A 3583/4885
US-20070208037-A1 FUNGICIDAL 5-PHENYL SUBSTITUTED 2-(CYANOAMINO) PYRIMIDINES CBR3, NOX5, CBR1 NPSR1 440/4885HTT 4154/4885KMT2A 3579/4885
US-20030088096-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR1, CBR3, ARSA NPSR1 54/4885HTT 4173/4885KMT2A 3683/4885
US-20050282847-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR3, NOX5, CBR1 NPSR1 327/4885HTT 4163/4885KMT2A 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.