SCHEMBL82746

SCHEMBL82746

Brc1ccc([C@H]2CN(Cc3ccccc3)CCN2Cc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.52
ALDH1A1 P00352 3/20 0.50
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
BACE1 P56817 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
HPGD P15428 2/20 0.49
DUSP3 P51452 1/20 0.49
PTPN5 P54829 1/20 0.49
PTPN11 Q06124 1/20 0.49
SIGMAR1 Q99720 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
IGF1R P08069 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL16226782 0.90 SIGMAR1 (0.55) ALDH1A1CYP3A4CYP2D6CYP2C19SIGMAR1
SCHEMBL21105435 0.86 TACR1 (0.51) RORCBCHEACHEBACE1SIGMAR1
SCHEMBL16640434 0.86 TACR1 (0.51) RORCBCHEACHEBACE1SIGMAR1
SCHEMBL28824734 0.85 RORC (0.52) RORCALDH1A1BCHEACHEBACE1
SCHEMBL83711 0.82 HRH3 (0.50) ALDH1A1CYP3A4CYP2D6CYP2C19SIGMAR1
SCHEMBL83046 0.82 DRD2 (0.47) BCHEACHEBACE1SIGMAR1LMNA
SCHEMBL2047049 0.79 HTR1A (0.49) RORCALDH1A1BCHEACHEBACE1
SCHEMBL4159183 0.79 DRD4 (0.50) RORCALDH1A1BCHEACHEBACE1
SCHEMBL4159182 0.79 DRD4 (0.50) RORCALDH1A1BCHEACHEBACE1
SCHEMBL20148958 0.78 ACHE (0.60) RORCBCHEACHEBACE1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1805164-B9 6-(PYRIDINYL)-4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2011-09-07 EP disclosed
EP-1805164-B1 6-(PYRIDINYL)-4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2011-02-23 EP disclosed
EP-2266969-A2 6-(Pyridinyl)-4-pyrimidone derivatives as tau protein kinase 1 inhibitors Mitsubishi Tanabe Pharma Corporation (JP) 2010-12-29 EP disclosed
EP-2261224-A2 6-(Pyridinyl)-4-pyrimidone derivatives as tau protein kinase 1 inhibitors Mitsubishi Tanabe Pharma Corporation (JP) 2010-12-15 EP disclosed
US-20090239864-A1 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI PHARMA CORPORATION (JP) 2009-09-24 US 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 (1 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-20090239864-A1 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MAPT, TTBK1, PSEN1 RORC 1650/4885ALDH1A1 1955/4885BCHE 1560/4885

“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.