SCHEMBL5532703

SCHEMBL5532703

CSc1nc(O)c(-c2ccccc2F)c(O)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
DCUN1D1 Q96GG9 1/20 0.39
HSP90AA1 P07900 3/20 0.38
USP7 Q93009 1/20 0.38
GCGR P47871 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36
LMNA P02545 1/20 0.35
MBNL1 Q9NR56 1/20 0.35
PPARG P37231 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
SCHEMBL5529380 0.79 HSP90AA1 (0.43) MAPK1DCUN1D1HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL4226477 0.79 HSP90AA1 (0.54) MAPK1DCUN1D1HSP90AA1USP7ALDH1A1
SCHEMBL5524404 0.76 PDE7A (0.39) MAPK1HSP90AA1SMN1; SMN2NPC1GAA
SCHEMBL13903600 0.74 HSP90AA1 (0.49) MAPK1DCUN1D1HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL5530138 0.71 ABL1 (0.40) MAPK1HSP90AA1ALDH1A1SMN1; SMN2NPC1
SCHEMBL6307067 0.70 HSP90AA1 (0.69) MAPK1HSP90AA1ALDH1A1SMN1; SMN2ADORA2A
SCHEMBL23405305 0.69 MAPK1 (0.41) MAPK1DCUN1D1HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL4603390 0.69 TSHR (0.42) MAPK1DCUN1D1ALDH1A1NPC1L3MBTL1
SCHEMBL27826457 0.69 MPL (0.45) MAPK1HSP90AA1SMN1; SMN2NPC1MAPT
SCHEMBL9048605 0.68 MAPK1 (0.36) MAPK1SMN1; SMN2GAA

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
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

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 MAPK1 1618/4885DCUN1D1 1622/4885HSP90AA1 1002/4885
US-20050282828-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR3, CBR1, CYP3A5 MAPK1 2611/4885DCUN1D1 2496/4885HSP90AA1 1647/4885
US-20070208037-A1 FUNGICIDAL 5-PHENYL SUBSTITUTED 2-(CYANOAMINO) PYRIMIDINES CBR3, NOX5, CBR1 MAPK1 2955/4885DCUN1D1 2483/4885HSP90AA1 1355/4885
US-20030088096-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR1, CBR3, ARSA MAPK1 1898/4885DCUN1D1 2207/4885HSP90AA1 714/4885
US-20050282847-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR3, NOX5, CBR1 MAPK1 3068/4885DCUN1D1 2742/4885HSP90AA1 1599/4885

“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.