SCHEMBL393595

SCHEMBL393595

CCC#CCOc1ncnc(N2CCCC2)c1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
DCK P27707 1/20 0.33

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
SCHEMBL82724 0.99 LMNA (0.38) ACACBALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL83873 0.99 LMNA (0.38) ACACBALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL395869 0.87 HTT (0.37) ACACBALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL83375 0.87 JAK3 (0.43) ACACBALDH1A1LMNAKDM4ETSHR
SCHEMBL83554 0.86 NPC1 (0.39) ACACBALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL82635 0.86 NPC1 (0.39) ACACBALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL82988 0.86 NPC1 (0.39) ACACBALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL83968 0.83 PDE1B (0.38) ACACBALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL10074499 0.82 ACACB (0.44) ACACBALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL10074502 0.81 ACACB (0.43) ACACBALDH1A1LMNASMN1; SMN2KDM4E

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 ACACB 426/4885ALDH1A1 61/4885LMNA 4693/4885
US-20080039445-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS DPYD, DHFR, DHODH ACACB 426/4885ALDH1A1 61/4885LMNA 4693/4885

“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.