SCHEMBL5525753

SCHEMBL5525753

CC1CCCCN1c1nc(N(C)C#N)nc(Cl)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
USP2 O75604 2/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
KDM4E B2RXH2 3/20 0.36

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
SCHEMBL5525304 0.81 NPSR1 (0.43) ALDH1A1LMNAMAPTUSP2TSHR
SCHEMBL5526923 0.81 NPY5R (0.41) NPY5RALDH1A1LMNAMAPTUSP2
SCHEMBL5526688 0.78 NPY5R (0.44) NPY5RALDH1A1LMNAMAPTUSP2
SCHEMBL5530522 0.76 NPY5R (0.43) NPY5RALDH1A1LMNAMAPTUSP2
SCHEMBL11357483 0.67 KDM4E (0.48) NPY5RALDH1A1LMNAMAPTUSP2
SCHEMBL12929828 0.67 LMNA (0.52) NPY5RALDH1A1LMNAMAPTUSP2
SCHEMBL14916924 0.67 FABP4 (0.46) NPY5RALDH1A1LMNAMAPTUSP2
SCHEMBL4090472 0.62 MAPT (0.77) ALDH1A1LMNAMAPTUSP2TSHR
SCHEMBL15831811 0.62 HRH4 (0.50) NPY5RALDH1A1LMNAMAPTUSP2
SCHEMBL5526920 0.62 NPSR1 (0.43) ALDH1A1LMNAMAPTUSP2TSHR

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 10 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

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 NPY5R 244/4885ALDH1A1 563/4885LMNA 2281/4885
US-20050282828-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR3, CBR1, CYP3A5 NPY5R 53/4885ALDH1A1 1325/4885LMNA 2044/4885
US-20070208037-A1 FUNGICIDAL 5-PHENYL SUBSTITUTED 2-(CYANOAMINO) PYRIMIDINES CBR3, NOX5, CBR1 NPY5R 70/4885ALDH1A1 1311/4885LMNA 2094/4885
US-20030088096-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR1, CBR3, ARSA NPY5R 610/4885ALDH1A1 622/4885LMNA 1922/4885
US-20050282847-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR3, NOX5, CBR1 NPY5R 77/4885ALDH1A1 1319/4885LMNA 2537/4885

“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.