SCHEMBL189393

SCHEMBL189393

Cc1cc(N)ccc1N1CC(O)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
MAPT P10636 6/20 0.59
GAA P10253 4/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
THRB P10828 3/20 0.59
NR4A1 P22736 1/20 0.59
PTK2B Q14289 1/20 0.59
RAD52 P43351 3/20 0.51
GFER P55789 2/20 0.51
KDM4E B2RXH2 4/20 0.50
LMNA P02545 2/20 0.50
ALOX15 P16050 2/20 0.50
PDE10A Q9Y233 1/20 0.42
HTT P42858 2/20 0.39
CASP1 P29466 3/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.36
YWHAG P61981 1/20 0.36

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
SCHEMBL10036398 0.89 ALDH1A1 (0.59) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL6707073 0.89 ALDH1A1 (0.59) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL3251853 0.87 MAPT (0.57) ALDH1A1MAPTGAAMEN1KMT2A
Hydrochloric Acid SCHEMBL5401575 0.85 MAPT (0.59) ALDH1A1MAPTGAAMEN1KMT2A
Hydrochloric Acid SCHEMBL27584959 0.85 MAPT (0.59) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL6707665 0.84 ALDH1A1 (0.61) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL6712251 0.83 ALDH1A1 (0.53) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL188448 0.83 MAPT (0.65) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL31453574 0.82 MAPT (0.59) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL6707028 0.80 ALDH1A1 (0.49) ALDH1A1MAPTGAAMEN1KMT2A

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 ALDH1A1 1119/4885MAPT 4723/4885GAA 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.