SCHEMBL82911

SCHEMBL82911

CC1CC(C)CN(c2ncnc(F)c2F)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 1/20 0.46
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAP2K7 O14733 1/20 0.43
HPGD P15428 1/20 0.43
LRRK2 Q5S007 3/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL82981 0.85 NPC1 (0.46) PDE1BNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL10074501 0.80 ACACB (0.43) PDE1BNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL29455297 0.76 NPC1 (0.41) PDE1BNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL21569325 0.76 PDE1B (0.39) PDE1BNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL83556 0.75 PDE1B (0.41) PDE1BNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL29368774 0.75 PDE1B (0.41) PDE1BNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL394833 0.75 PDE1B (0.41) PDE1BNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL83557 0.75 PDE1B (0.41) PDE1BNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL394832 0.75 PDE1B (0.41) PDE1BNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL28854494 0.75 PDE1B (0.39) PDE1BNPC1ALDH1A1RAB9ASMN1; SMN2

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 32 patents — showing the first 20. 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-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-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
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-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-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-20090203674-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-13 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
EP-1622879-A1 PYRIMIDINE COMPOUNDS AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME Sumitomo Chemical Company, Limited (JP) 2006-02-08 EP disclosed
WO-2004099160-A1 PYRIMIDINE COMPOUNDS AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-18 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 (4 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 PDE1B 4656/4885NPC1 3323/4885ALDH1A1 2802/4885
US-20090203674-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME C5, C1S, C9 PDE1B 4541/4885NPC1 3589/4885ALDH1A1 2192/4885
US-20090209518-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME C5, C1S, C9 PDE1B 4541/4885NPC1 3599/4885ALDH1A1 2186/4885
US-20090209519-A1 PYRIMIDINE COMPOUND AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME C5, C1S, C9 PDE1B 4485/4885NPC1 3626/4885ALDH1A1 2128/4885

“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.