SCHEMBL83713

SCHEMBL83713

CC#CCOc1ncnc(N2CCC(C)CCC2C)c1F

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.33
LMNA P02545 4/20 0.33
HTT P42858 4/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
JAK3 P52333 2/20 0.33
PTK2B Q14289 1/20 0.33
TSHR P16473 1/20 0.32
XBP1 P17861 1/20 0.32
NPC1 O15118 1/20 0.32
ACACB O00763 7/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CHRM3 P20309 1/20 0.31
TP53 P04637 2/20 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
SCHEMBL83202 0.88 SMN1; SMN2 (0.44) SMN1; SMN2LMNAHTTNCOA3JAK3
SCHEMBL12580713 0.87 SMN1; SMN2 (0.44) SMN1; SMN2LMNAHTTNCOA3JAK3
SCHEMBL84487 0.87 SMN1; SMN2 (0.44) SMN1; SMN2LMNAHTTNCOA3JAK3
SCHEMBL84225 0.83 ACACB (0.33) SMN1; SMN2LMNAHTTNCOA3JAK3
SCHEMBL84226 0.83 ACACB (0.33) SMN1; SMN2LMNAHTTNCOA3JAK3
SCHEMBL82992 0.83 ACACB (0.33) SMN1; SMN2LMNAHTTNCOA3JAK3
SCHEMBL82993 0.83 ACACB (0.33) SMN1; SMN2LMNAHTTNCOA3JAK3
SCHEMBL82991 0.83 ACACB (0.33) SMN1; SMN2LMNAHTTNCOA3JAK3
SCHEMBL83769 0.83 JAK3 (0.37) JAK3ACACBCHRM3
SCHEMBL82296 0.79 JAK3 (0.33) SMN1; SMN2LMNAHTTNCOA3JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129526-B2 Pyrimidine compound and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-8129526-B2 Pyrimidine compound and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-7973028-B2 Pyrimidine compound and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-05 US disclosed
US-7973028-B2 Pyrimidine compound and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-05 US disclosed
US-7968537-B2 Pyrimidine compound and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-28 US disclosed
US-7968537-B2 Pyrimidine compound and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-28 US disclosed
EP-1622879-B1 PYRIMIDINE COMPOUNDS AND PESTS CONTROLLING COMPOSITIONS CONTAINING THE SAME SUMITOMO CHEMICAL CO (JP) 2011-04-27 EP disclosed
US-7928110-B2 Pyrimidine compound and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-19 US disclosed
US-7732448-B2 Pyrimidine compounds and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-08 US disclosed
US-20100036117-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20100036117-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20090209518-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-20 US disclosed
US-20090209518-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-20 US disclosed
US-20090209519-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-20 US disclosed
US-20090209519-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-20 US disclosed
US-20090203674-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-13 US disclosed
US-20060199800-A1 Pyrimidine compounds and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-09-07 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-20060199800-A1 Pyrimidine compounds and pests controlling composition containing the same C5, C1S, TYMS SMN1; SMN2 2436/4885LMNA 2504/4885HTT 4153/4885
US-20090203674-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME C5, C1S, C9 SMN1; SMN2 2743/4885LMNA 2958/4885HTT 4187/4885
US-20090209518-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME C5, C1S, C9 SMN1; SMN2 2689/4885LMNA 3012/4885HTT 4165/4885
US-20100036117-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME C5, C1S, CCNB3 SMN1; SMN2 1891/4885LMNA 2668/4885HTT 3888/4885
US-20090209519-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME C5, C1S, C9 SMN1; SMN2 2567/4885LMNA 2945/4885HTT 4190/4885

“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.