SCHEMBL10074248

SCHEMBL10074248

CCOc1cc(N2CC(C)CCCC2C)ncn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.36
KMT2A Q03164 6/20 0.33
ELOVL1 Q9BW60 5/20 0.32
SMN1; SMN2 Q16637 4/20 0.31
ALDH1A1 P00352 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HPGD P15428 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LRRK2 Q5S007 2/20 0.31
HTT P42858 2/20 0.31
LMNA P02545 1/20 0.31
ACACA Q13085 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 3/20 0.30
PROKR1 Q8TCW9 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL83890 0.84 ACACB (0.30) ACACB
SCHEMBL83888 0.84 ACACB (0.30) ACACB
SCHEMBL83889 0.84 ACACB (0.30) ACACB
SCHEMBL84197 0.84 ACACB (0.30) ACACB
SCHEMBL84196 0.84 ACACB (0.30) ACACB
SCHEMBL1630508 0.78 SMN1; SMN2 (0.34) KMT2ASMN1; SMN2ALDH1A1NPC1HPGD
SCHEMBL82389 0.78 MMP2 (0.38) KMT2ASMN1; SMN2ALDH1A1NPC1LRRK2
SCHEMBL82677 0.78 MMP2 (0.38) KMT2ASMN1; SMN2ALDH1A1NPC1LRRK2
SCHEMBL82388 0.78 MMP2 (0.38) KMT2ASMN1; SMN2ALDH1A1NPC1LRRK2
SCHEMBL82390 0.78 MMP2 (0.38) KMT2ASMN1; SMN2ALDH1A1NPC1LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299245-B2 Method for producing pyrimidine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-30 US disclosed
US-8101753-B2 Production method of pyrimidine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-20090111984-A1 Novel Method For Producing Pyrimidine Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20080039445-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-02-14 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 (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-20090111984-A1 Novel Method For Producing Pyrimidine Compound DPYD, UMPS, TYMP ACACB 2155/4885KMT2A 948/4885ELOVL1 3948/4885
US-20080039445-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS DPYD, DHFR, DHODH ACACB 426/4885KMT2A 2312/4885ELOVL1 3627/4885

“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.