SCHEMBL395869

SCHEMBL395869

CC#CCOc1ncnc(N2CCCC2)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 4/20 0.36
ALOX15 P16050 2/20 0.36
AKT2 P31751 1/20 0.36
MAP3K5 Q99683 1/20 0.36
ACACB O00763 10/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 2/20 0.34
PRNP P04156 1/20 0.34
MAPT P10636 1/20 0.34
PPARG P37231 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34
NCOR2 Q9Y618 1/20 0.34

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
SCHEMBL82635 0.99 NPC1 (0.39) HTTTP53MAPK1NPC1PKM
SCHEMBL83554 0.99 NPC1 (0.39) HTTTP53MAPK1NPC1PKM
SCHEMBL82988 0.99 NPC1 (0.39) HTTTP53MAPK1NPC1PKM
SCHEMBL393595 0.87 ACACB (0.36) HTTTP53MAPK1NPC1PKM
SCHEMBL82711 0.87 SIGMAR1 (0.37) ACACBJAK3
SCHEMBL83129 0.87 JAK3 (0.44) TP53MAPK1NPC1LMNAALOX15
SCHEMBL83873 0.86 LMNA (0.38) HTTTP53NPC1PKMLMNA
SCHEMBL82724 0.86 LMNA (0.38) HTTTP53NPC1PKMLMNA
SCHEMBL83603 0.85 ACACB (0.37) ACACB
SCHEMBL83921 0.84 ACACB (0.33) ACACBDCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088914-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-12 US disclosed
US-20120088914-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-12 US disclosed
US-8101753-B2 Production method of pyrimidine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-8101753-B2 Production method of pyrimidine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-24 US disclosed
EP-1809610-B1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-08-24 EP disclosed
US-20080039445-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-02-14 US disclosed
US-20080039445-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-02-14 US disclosed
EP-1809610-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS Sumitomo Chemical Company, Limited (JP) 2007-07-25 EP disclosed
WO-2006051891-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-05-18 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-20120088914-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS DPYD, DHFR, DHODH HTT 4535/4885TP53 2559/4885MAPK1 2739/4885
US-20080039445-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS DPYD, DHFR, DHODH HTT 4535/4885TP53 2559/4885MAPK1 2739/4885

“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.