SCHEMBL3311372

SCHEMBL3311372

N=C(N)N1CCO[C@@H](c2ccc(F)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE10A Q9Y233 1/20 0.38
GSK3B P49841 6/20 0.38
CYP1A2 P05177 4/20 0.38
CYP2D6 P10635 4/20 0.38
MOGAT2 Q3SYC2 2/20 0.38
MGAT2 Q10469 1/20 0.38
DRD3 P35462 4/20 0.37
PDE2A O00408 1/20 0.36
CSNK1A1 P48729 1/20 0.36
GSK3A P49840 1/20 0.36
CHRM1 P11229 1/20 0.36
KCNH2 Q12809 1/20 0.36
USP30 Q70CQ3 1/20 0.36
CNR2 P34972 1/20 0.35

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
SCHEMBL11094354 0.85 USP30 (0.47) MEN1KMT2ACYP2D6DRD3USP30
SCHEMBL3370271 0.81 MEN1 (0.49) NAMPTMEN1KMT2APDE10AGSK3B
SCHEMBL3373269 0.81 MEN1 (0.49) NAMPTMEN1KMT2APDE10AGSK3B
SCHEMBL3372157 0.81 MEN1 (0.49) NAMPTMEN1KMT2APDE10AGSK3B
SCHEMBL19049375 0.79 MEN1 (0.46) NAMPTMEN1KMT2APDE10AGSK3B
SCHEMBL2294991 0.77 GRIN2B (0.51) NAMPTMEN1KMT2ACYP1A2MOGAT2
SCHEMBL2296318 0.77 GRIN2B (0.51) NAMPTMEN1KMT2ACYP1A2MOGAT2
SCHEMBL2296518 0.76 PKM (0.45) NAMPTMEN1KMT2APDE10AGSK3B
SCHEMBL19002793 0.76 MEN1 (0.46) NAMPTMEN1KMT2AGSK3BCYP1A2
SCHEMBL19002802 0.76 MEN1 (0.43) NAMPTMEN1KMT2APDE10AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592417-B2 2-substituted-6-heterocyclic pyrimidone derivatives as tau protein kinase 1 inhibitors MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-11-26 US disclosed
EP-2097409-B1 2-SUBSTITUTED-6-HETEROCYCLIC PYRIMIDONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2012-09-12 EP disclosed
US-20100113775-A1 2-SUBSTITUTED-6-HETEROCYCLIC PYRIMIDONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-06 US disclosed
US-20100113775-A1 2-SUBSTITUTED-6-HETEROCYCLIC PYRIMIDONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-06 US disclosed
CN-101652361-A 2-substituted-6-heterocyclic pyrimidone derivatives as tau protein kinase 1 inhibitors MITSUBISHI TANABE PHARMA CORP 2010-02-17 CN 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-20100113775-A1 2-SUBSTITUTED-6-HETEROCYCLIC PYRIMIDONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHIBITORS MAPT, TTBK1, TTBK2 NAMPT 1325/4885MEN1 3650/4885KMT2A 2105/4885

“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.