SCHEMBL189071

SCHEMBL189071

COCC(=O)N1CCN(c2ccc(N)cc2C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
GAA P10253 4/20 0.53
RAD52 P43351 1/20 0.53
GFER P55789 1/20 0.53
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 3/20 0.52
THRB P10828 1/20 0.52
NR4A1 P22736 1/20 0.52
PTK2B Q14289 1/20 0.52
GRM5 P41594 1/20 0.49
POLB P06746 2/20 0.46
TSHR P16473 2/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SMO Q99835 1/20 0.43
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
CYP1A2 P05177 1/20 0.42

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 0.87 MAPT (0.56) MAPTGAARAD52ALDH1A1GRM5
SCHEMBL1812623 0.86 MAPT (0.46) MAPTGAAKMT2AALDH1A1MEN1
SCHEMBL189085 0.86 ALDH1A1 (0.53) MAPTGAAGFERKMT2AALDH1A1
SCHEMBL6839630 0.82 MAPT (0.56) MAPTGAARAD52GFERKMT2A
SCHEMBL27927159 0.82 MAPT (0.63) MAPTGAARAD52GFERKMT2A
SCHEMBL3436455 0.81 KMT2A (0.60) MAPTGAAKMT2AALDH1A1MEN1
SCHEMBL188894 0.80 MAPT (0.61) MAPTGAARAD52GFERKMT2A
SCHEMBL6599883 0.80 MAPT (0.61) MAPTGAARAD52GFERKMT2A
SCHEMBL8230222 0.79 MAPT (0.67) MAPTGAARAD52GFERKMT2A
SCHEMBL15358737 0.78 MAPT (0.81) MAPTGAARAD52GFERKMT2A

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 4723/4885GAA 3616/4885RAD52 1581/4885

“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.