SCHEMBL6899031

SCHEMBL6899031

COc1ccc(Cn2c(C3(O)CCC3)nc3nc(-c4ccc([N+](=O)[O-])cc4)nc(N4CCOCC4)c32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
PAX8 Q06710 1/20 0.40
PIK3CA P42336 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
MAPT P10636 4/20 0.38
LMNA P02545 2/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PIK3CD O00329 1/20 0.37
PIK3C2B O00750 1/20 0.37
PIK3CB P42338 1/20 0.37
HDAC1 Q13547 1/20 0.36
KCNJ1 P48048 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SLC6A9 P48067 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
SCHEMBL6899000 0.82 PDE10A (0.44) PDE10AMEN1KMT2AMAPK1PIK3CA
SCHEMBL2160965 0.69 MTOR (0.60) MEN1KMT2AMAPK1PIK3CALMNA
SCHEMBL6889089 0.68 KMT2A (0.46) MEN1KMT2AMAPK1PIK3CAMAPT
SCHEMBL6889566 0.68 MEN1 (0.41) MEN1KMT2AMAPK1PIK3CAMAPT
SCHEMBL12463162 0.67 TRPM8 (0.69)
SCHEMBL13828865 0.65 MEN1 (0.61) MEN1KMT2AMAPK1LMNATHRB
SCHEMBL12463157 0.65 MTOR (0.62) MEN1KMT2ALMNATHRB
SCHEMBL13828966 0.62 MEN1 (0.60) MEN1KMT2AMAPK1MAPTLMNA
SCHEMBL31549907 0.62 KMT2A (0.65) MEN1KMT2AHTTPIK3CAMAPT
SCHEMBL10238429 0.61 MEN1 (0.48) MEN1KMT2AMAPK1PIK3CAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828990-B2 N-7 substituted purine and pyrazolopyrimine compounds, compositions and methods of use GENENTECH, INC. (US) 2014-09-09 US disclosed
US-20110086840-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2011-04-14 US 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-20110086840-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX7, P2RY1, PNP PDE10A 341/4885MEN1 1170/4885KMT2A 3994/4885

“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.