SCHEMBL189085

SCHEMBL189085

COCC(=O)N1CCN(c2ccc(N)cc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
LMNA P02545 4/20 0.53
GRM5 P41594 3/20 0.52
MAPT P10636 7/20 0.52
POLB P06746 2/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 3/20 0.51
MAPK1 P28482 2/20 0.51
MEN1 O00255 2/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PARP1 P09874 1/20 0.50
GFER P55789 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SLC6A9 P48067 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
RXFP1 Q9HBX9 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
SCHEMBL8509690 0.86 MAPT (0.56) ALDH1A1SMN1; SMN2GRM5MAPTPOLB
SCHEMBL189071 0.86 MAPT (0.53) ALDH1A1SMN1; SMN2LMNAGRM5MAPT
SCHEMBL13419683 0.85 MAPT (0.54) ALDH1A1SMN1; SMN2LMNAMAPTPOLB
SCHEMBL1812623 0.85 MAPT (0.46) ALDH1A1SMN1; SMN2LMNAGRM5MAPT
SCHEMBL1983332 0.83 MAPT (0.54) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL3099621 0.81 GFER (0.58) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL28933806 0.81 L3MBTL1 (0.71) ALDH1A1SMN1; SMN2LMNAMAPTPOLB
SCHEMBL3922259 0.79 MAPT (0.63) ALDH1A1SMN1; SMN2LMNAGRM5MAPT
SCHEMBL8230222 0.78 MAPT (0.67) ALDH1A1SMN1; SMN2LMNAGRM5MAPT
SCHEMBL660403 0.78 NR1H2 (0.53) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A

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 4 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

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 ALDH1A1 1119/4885SMN1; SMN2 4848/4885LMNA 4499/4885

“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.