SCHEMBL5530104

SCHEMBL5530104

O=C1NC(=S)NC(=O)C1c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM1A O60341 3/20 0.40
GAA P10253 2/20 0.40
TNKS2 Q9H2K2 2/20 0.40
KDM1B Q8NB78 1/20 0.40
MAPT P10636 2/20 0.40
GFER P55789 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
TOP2A P11388 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
IDO1 P14902 2/20 0.38
EEF2K O00418 1/20 0.37
RCOR1 Q9UKL0 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL472475 0.72 MAPT (0.50) MEN1KMT2AMAPTTOP2ASLC22A12
SCHEMBL5675400 0.70 PBRM1 (0.42) MEN1KMT2AKDM1AGAATNKS2
SCHEMBL3259104 0.70 MEN1 (0.48) MEN1KMT2AKDM1AGAATNKS2
SCHEMBL3259108 0.70 MEN1 (0.48) MEN1KMT2AKDM1AGAATNKS2
SCHEMBL4590461 0.69 CACNB4 (0.47) MEN1KMT2AMAPTCACNA1BIDO1
SCHEMBL5674346 0.68 TP53 (0.41) KDM1AGAATNKS2KDM1BMAPT
SCHEMBL24282699 0.67 KDM1A (0.49) MEN1KMT2AKDM1AGAATNKS2
SCHEMBL21057914 0.67 KDM1A (0.49) MEN1KMT2AKDM1AGAATNKS2
SCHEMBL21104020 0.67 KDM1A (0.49) MEN1KMT2AKDM1AGAATNKS2
SCHEMBL21057917 0.67 KDM1A (0.49) MEN1KMT2AKDM1AGAATNKS2

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 MEN1 4406/4885KMT2A 3639/4885KDM1A 1097/4885
US-20050282828-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR3, CBR1, CYP3A5 MEN1 2917/4885KMT2A 3583/4885KDM1A 1420/4885
US-20070208037-A1 FUNGICIDAL 5-PHENYL SUBSTITUTED 2-(CYANOAMINO) PYRIMIDINES CBR3, NOX5, CBR1 MEN1 4069/4885KMT2A 3579/4885KDM1A 1472/4885
US-20030088096-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR1, CBR3, ARSA MEN1 4520/4885KMT2A 3683/4885KDM1A 1046/4885
US-20050282847-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR3, NOX5, CBR1 MEN1 4124/4885KMT2A 3726/4885KDM1A 1714/4885

“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.