SCHEMBL84226

SCHEMBL84226

CC#CCOc1ncnc(N2C[C@@H](C)CCC[C@@H]2C)c1F

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 3/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
JAK3 P52333 2/20 0.32
TSHR P16473 1/20 0.32
XBP1 P17861 1/20 0.32
NPC1 O15118 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LRRK2 Q5S007 1/20 0.30
TP53 P04637 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
SCHEMBL82993 1.00 ACACB (0.33) ACACBSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL82991 1.00 ACACB (0.33) ACACBSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL84225 1.00 ACACB (0.33) ACACBSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL82992 1.00 ACACB (0.33) ACACBSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL83202 0.87 SMN1; SMN2 (0.44) ACACBSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL12580713 0.86 SMN1; SMN2 (0.44) ACACBSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL84487 0.86 SMN1; SMN2 (0.44) ACACBSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL82296 0.85 JAK3 (0.33) ACACBSMN1; SMN2LMNAHTTNCOA3
SCHEMBL82295 0.85 JAK3 (0.33) ACACBSMN1; SMN2LMNAHTTNCOA3
SCHEMBL83129 0.83 JAK3 (0.44) ACACBALDH1A1LMNAJAK3TSHR

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 10 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-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-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-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-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 ACACB 1246/4885SMN1; SMN2 2436/4885MEN1 3344/4885
US-20090203674-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME C5, C1S, C9 ACACB 1331/4885SMN1; SMN2 2743/4885MEN1 2686/4885
US-20090209518-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME C5, C1S, C9 ACACB 1391/4885SMN1; SMN2 2689/4885MEN1 2630/4885
US-20100036117-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME C5, C1S, CCNB3 ACACB 1652/4885SMN1; SMN2 1891/4885MEN1 1686/4885
US-20090209519-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME C5, C1S, C9 ACACB 1548/4885SMN1; SMN2 2567/4885MEN1 2789/4885

“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.