SCHEMBL189433

SCHEMBL189433

CN(C)C1CN(c2ccc(N)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
ALDH1A1 P00352 5/20 0.47
GFER P55789 4/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 3/20 0.47
KMT2A Q03164 2/20 0.47
ADRA2C P18825 1/20 0.47
PTK2B Q14289 1/20 0.47
ESR2 Q92731 1/20 0.47
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TP53 P04637 2/20 0.44
ALOX15 P16050 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL188110 0.85 MCHR1 (0.48) MAPTALDH1A1GFERKDM4EGAA
SCHEMBL188535 0.85 MCHR1 (0.48) MAPTALDH1A1GFERKDM4EGAA
SCHEMBL188111 0.85 MCHR1 (0.48) MAPTALDH1A1GFERKDM4EGAA
Hydrochloric Acid SCHEMBL5388918 0.84 MCHR1 (0.47) MAPTALDH1A1GFERKDM4EGAA
SCHEMBL3440096 0.83 MAPT (0.49) MAPTALDH1A1GFERKDM4EGAA
SCHEMBL24123779 0.82 ADRB1 (0.44) MAPTALDH1A1GAAKMT2AHTT
SCHEMBL6223422 0.81 MAPT (0.51) MAPTALDH1A1GFERKDM4EGAA
SCHEMBL1409679 0.81 MAPT (0.53) MAPTALDH1A1GFERKDM4EGAA
SCHEMBL24123763 0.81 HRH3 (0.42) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL30878749 0.80 L3MBTL1 (0.49) MAPTALDH1A1GFERKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2213673-B1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2013-06-05 EP disclosed
EP-2213673-B1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2013-06-05 EP disclosed
US-8329711-B2 Pyridone-substituted-dihydropyrazolopyrimidinone derivative MSD K.K. (JP) 2012-12-11 US disclosed
US-8329711-B2 Pyridone-substituted-dihydropyrazolopyrimidinone derivative MSD K.K. (JP) 2012-12-11 US disclosed
US-8329711-B2 Pyridone-substituted-dihydropyrazolopyrimidinone derivative MSD K.K. (JP) 2012-12-11 US disclosed
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US disclosed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
US-20100221211-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD K.K. (JP) 2010-09-02 US disclosed
US-20100221211-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD K.K. (JP) 2010-09-02 US disclosed
US-20100221211-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD K.K. (JP) 2010-09-02 US disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO disclosed
EP-2213673-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-08-04 EP disclosed
EP-2213673-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-08-04 EP 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-20100221211-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE WEE1, WEE2, CCNE1 MAPT 4870/4885ALDH1A1 2764/4885GFER 4137/4885
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK MAPT 4723/4885ALDH1A1 1119/4885GFER 1162/4885

“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.