SCHEMBL216385

SCHEMBL216385

CN1CCN(c2ccc(N)cc2)CCC1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.59
ALDH1A1 P00352 8/20 0.59
GAA P10253 6/20 0.59
GFER P55789 5/20 0.59
KDM4E B2RXH2 5/20 0.59
KMT2A Q03164 3/20 0.59
ADRA2C P18825 2/20 0.59
PTK2B Q14289 2/20 0.59
ESR2 Q92731 1/20 0.59
CASP6 P55212 1/20 0.51
LMNA P02545 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 3/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
RAD52 P43351 1/20 0.50
RECQL P46063 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL5726036 0.84 MAPT (0.56) MAPTALDH1A1GAAGFERKDM4E
SCHEMBL1813820 0.79 BRD4 (0.39) MAPTALDH1A1GAAGFERKDM4E
SCHEMBL77364 0.77 MAPT (0.57) MAPTALDH1A1GAAGFERKDM4E
SCHEMBL23347931 0.77 MAPT (0.77) MAPTALDH1A1GAAGFERKDM4E
SCHEMBL7043679 0.77 MAPT (0.77) MAPTALDH1A1GAAGFERKDM4E
SCHEMBL6151120 0.77 MAPT (0.77) MAPTALDH1A1GAAGFERKDM4E
Hydrochloric Acid SCHEMBL6073799 0.76 MAPT (0.61) MAPTALDH1A1GAAGFERKDM4E
SCHEMBL5213968 0.75 MAPT (0.55) MAPTALDH1A1GAAGFERKDM4E
SCHEMBL56547 0.75 MAPT (1.00) MAPTALDH1A1GAAGFERKDM4E
SCHEMBL6414948 0.75 MAPT (1.00) MAPTALDH1A1GAAGFERKDM4E

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-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
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

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-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK MAPT 4723/4885ALDH1A1 1119/4885GAA 3616/4885

“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.