SCHEMBL81844

SCHEMBL81844

Cn1c(Cl)nc(-c2ccncc2F)cc1=O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
ACHE P22303 1/20 0.44
LATS1 O95835 5/20 0.41
LATS2 Q9NRM7 3/20 0.41
KCNH2 Q12809 1/20 0.40
AOC3 Q16853 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
SCHEMBL83123 0.83 GSK3B (0.50) GSK3BCYP1A2CYP2D6ACHELATS1
SCHEMBL14299991 0.81 GSK3B (0.48) GSK3BCYP1A2CYP2D6ACHELATS1
SCHEMBL12207259 0.81 GSK3B (0.52) GSK3BCYP1A2CYP2D6ACHELATS1
SCHEMBL8268075 0.77 GSK3B (0.63) GSK3BCYP1A2CYP2D6LATS1
SCHEMBL14299994 0.76 GSK3B (0.52) GSK3BCYP1A2CYP2D6ACHELATS1
SCHEMBL87832 0.76 GSK3B (0.62) GSK3BCYP1A2CYP2D6LATS1
SCHEMBL497227 0.76 GSK3B (0.52) GSK3B
SCHEMBL9943968 0.76 CYP1A2 (0.41) GSK3BCYP1A2CYP2D6
SCHEMBL83040 0.75 GSK3B (0.43) GSK3BCYP1A2CYP2D6LATS1LATS2
SCHEMBL81961 0.75 GSK3B (0.69) GSK3BCYP1A2CYP2D6LATS1LATS2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006232-B2 Pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-04-14 US disclosed
US-9006232-B2 Pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-04-14 US disclosed
US-9006232-B2 Pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-04-14 US disclosed
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 US disclosed
US-20120208797-A1 PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-08-16 US disclosed
US-20120208797-A1 PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-08-16 US disclosed
US-20120208797-A1 PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-08-16 US disclosed
US-8129377-B2 6-(pyridinyl)-4-pyrimidone derivates as tau protein kinase 1 inhibitors MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
EP-2423207-A2 2-(cyclic amino)-pyrimidone derivatives as TPK1 inhibitors Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-29 EP disclosed
EP-2057141-B1 PYRIMIDONE COMPOUNDS AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2011-10-26 EP disclosed
US-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
EP-2057141-A1 PYRIMIDONE COMPOUNDS AS GSK-3 INHIBITORS Pfizer Products Inc. (US) 2009-05-13 EP disclosed
CN-101400668-A 2-(cyclic amino)-pyrimidone derivatives as TPK1 inhibitors MITSUBISHI PHARMA CORP (JP) 2009-04-01 CN disclosed
EP-2001863-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2008-12-17 EP disclosed
WO-2008023239-A1 PYRIMIDONE COMPOUNDS AS GSK-3 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-02-28 WO disclosed
WO-2008023239-A1 PYRIMIDONE COMPOUNDS AS GSK-3 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-02-28 WO disclosed
WO-2007119463-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-25 WO disclosed
CN-101048397-A 6-(pyridinyl)-4-pyrimidone derivates as tau protein kinase 1 inhibitors MITSUBISHI PHARMA CORP (JP) 2007-10-03 CN disclosed
EP-1805164-A2 6-(PYRIDINYL)-4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS Mitsubishi Pharma Corporation (JP) 2007-07-11 EP disclosed
WO-2006036015-A2 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI PHARMA CORPORATION (JP) 2006-04-06 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-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MAPT, PRMT1, PSEN1 GSK3B 140/4885CYP1A2 2460/4885CYP2D6 2510/4885
US-20120208797-A1 PYRIMIDONE DERIVATIVES PSEN1, PRNP, PSEN2 GSK3B 256/4885CYP1A2 3190/4885CYP2D6 3752/4885

“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.