SCHEMBL5404694

SCHEMBL5404694

C[C@@H]1CCC[C@H]1Oc1cc(Cl)ncn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.39
TAS1R1 Q7RTX1 3/20 0.39
TAS1R2 Q8TE23 3/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SCN9A Q15858 1/20 0.33
MCHR1 Q99705 1/20 0.33
S1PR1 P21453 2/20 0.32
CYP19A1 P11511 1/20 0.31
HCRTR1 O43613 1/20 0.31

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
SCHEMBL5404687 1.00 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL5399811 0.97 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL5399815 0.97 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL5402718 0.97 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL5406913 0.91 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL5405651 0.79 MEN1 (0.41) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL5405437 0.79 MEN1 (0.38) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL5405439 0.79 MEN1 (0.38) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL5413053 0.78 MEN1 (0.40) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL5413891 0.78 MEN1 (0.40) TAS1R3TAS1R1TAS1R2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291730-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US claimed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 US claimed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP claimed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US claimed
EP-1366026-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-03 EP claimed
WO-2002024663-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-28 WO claimed
US-7291730-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US disclosed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 US disclosed
US-6838463-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-04 US disclosed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
EP-1366026-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-03 EP disclosed
WO-2002024663-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-28 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 (2 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-20050107609-A1 Pyrimidine compounds and their use TYMP, TYMS, UMPS TAS1R3 2481/4885TAS1R1 2567/4885TAS1R2 2841/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD TAS1R3 1612/4885TAS1R1 1996/4885TAS1R2 2308/4885

“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.