SCHEMBL916879

SCHEMBL916879

O=c1nccc(-c2ncccn2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
PDE3B Q13370 7/20 0.37
PDE3A Q14432 7/20 0.37
ATAD2 Q6PL18 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GPR84 Q9NQS5 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
PKM P14618 1/20 0.35
NOTUM Q6P988 1/20 0.34
AURKA O14965 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL1238022 0.81
Hydrochloric Acid SCHEMBL9956684 0.79 POLB (0.41) POLBATAD2ALDH1A1MEN1KMT2A
SCHEMBL30693692 0.79 NOTUM (0.56) PDE3BPDE3AGPR84NOTUMAURKA
Hydrochloric Acid SCHEMBL9958494 0.79 POLB (0.41) POLBATAD2ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL1238060 0.79 POLB (0.41) POLBATAD2ALDH1A1MEN1KMT2A
SCHEMBL20510086 0.77 KDM4E (0.50) POLBNPC1RAB9AALDH1A1TP53
SCHEMBL2162436 0.77 KDM4E (0.42) POLBNPC1RAB9AALDH1A1TP53
SCHEMBL3361201 0.76 KDM4E (0.53) POLBNPC1RAB9APDE3BPDE3A
SCHEMBL1129657 0.73 ALDH1A1 (0.39) NPC1PDE3BPDE3AALDH1A1TP53
SCHEMBL24922603 0.69 NPC1 (0.44) POLBNPC1RAB9AALDH1A1HPGD

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-8518939-B2 6-pyrimidinyl-pyrimid-4-one derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-27 US disclosed
EP-2197877-B1 3-METHYL-2- ( (2S) -2- (4- (3-METHYL-1, 2, 4-OXADIAZOL-5-YL) PHENYL) MORPHOLINO) -6- (PYRIMIDIN-4-YL) PYRIMIDIN-4 (3H) -ONE AS TAU PROTEIN KINASE INHIBITOR SANOFI SA (FR) 2013-05-15 EP disclosed
EP-2193129-B1 6-PYRIMIDINYL-PYRIMID-2-ONE DERIVATIVE MITSUBISHI TANABE PHARMA CORP (JP) 2012-10-24 EP disclosed
US-8288383-B2 3-methyl-2- ( (2S) -2- (4- (3-methyl-L, 2, 4-oxadiazol-5-YL) phenyl) morpholino) -6- (pyrim-idin-4-yl) pyrimidin-4 (3H) -one as tau protein kinase inhibitor SANOFI (FR) 2012-10-16 US disclosed
US-20120252812-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE SANOFI-AVENTIS (FR) 2012-10-04 US disclosed
US-8198437-B2 6-pyrimidinyl-pyrimid-4-one derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 US disclosed
US-20110021773-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-27 US disclosed
US-20110003988-A1 3-METHYL-2- ( (2S) -2- (4- (3-METHYL-L, 2, 4-0XADIAZ0L-5-YL) PHENYL) MORPHOLINO) -6- (PYRIM-IDIN-4-YL) PYRIMIDIN-4 (3H) -ONE AS TAU PROTEIN KINASE INHIBITOR SANOFI-AVENTIS (FR) 2011-01-06 US disclosed
CN-101883770-A 6-pyrimidinyl-pyrimid-2-one derivative MITSUBISHI TANABE PHARMA CORP 2010-11-10 CN disclosed
CN-101883770-A 6-pyrimidinyl-pyrimid-2-one derivative MITSUBISHI TANABE PHARMA CORP 2010-11-10 CN disclosed
CN-101842371-A 3-methyl-2- ( (2s) -2- (4- (3-methyl-l, 2, 4-0xadiaz0l-5-yl) phenyl) morpholino) -6- (pyrimidin-4-yl) pyrimidin-4 (3h) -one as tau protein kinase inhibitor SANOFI AVENTIS 2010-09-22 CN disclosed
EP-2197877-A1 3-METHYL-2- ( (2S) -2- (4- (3-METHYL-L, 2, 4-0XADIAZ0L-5-YL) PHENYL) MORPHOLINO) -6- (PYRIMIDIN-4-YL) PYRIMIDIN-4 (3H) -ONE AS TAU PROTEIN KINASE INHIBITOR Sanofi-Aventis (FR) 2010-06-23 EP disclosed
EP-2193129-A1 6-PYRIMIDINYL-PYRIMID-2-ONE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-06-09 EP disclosed
EP-2078717-A1 6-Pyrimidinyl-pyrimid-2-one derivative sanofi-aventis (FR) 2009-07-15 EP disclosed
EP-2078717-A1 6-Pyrimidinyl-pyrimid-2-one derivative sanofi-aventis (FR) 2009-07-15 EP disclosed
WO-2009035162-A1 6-PYRIMIDINYL-PYRIMID-2-ONE DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-19 WO disclosed
WO-2009035159-A1 3-METHYL-2- ( (2S) -2- (4- (3-METHYL-L, 2, 4-0XADIAZ0L-5-YL) PHENYL) MORPHOLINO) -6- (PYRIMIDIN-4-YL) PYRIMIDIN-4 (3H) -ONE AS TAU PROTEIN KINASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-19 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 (3 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-20120252812-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE MAPT, PSEN1, PSEN2 POLB 1143/4885NPC1 576/4885RAB9A 1344/4885
US-20110003988-A1 3-METHYL-2- ( (2S) -2- (4- (3-METHYL-L, 2, 4-0XADIAZ0L-5-YL) PHENYL) MORPHOLINO) -6- (PYRIM-IDIN-4-YL) PYRIMIDIN-4 (3H) -ONE AS TAU PROTEIN KINASE INHIBITOR MAPT, PSEN2, PSEN1 POLB 2435/4885NPC1 1398/4885RAB9A 1741/4885
US-20110021773-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE MAPT, PSEN1, PSEN2 POLB 1143/4885NPC1 576/4885RAB9A 1344/4885

“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.