SCHEMBL3287293

SCHEMBL3287293

COc1ccc(Cn2ncc3c([N+](=O)[O-])cccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.58
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
NPBWR1 P48145 5/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
PDE1A P54750 2/20 0.45
PDE1B Q01064 2/20 0.45
PDE1C Q14123 2/20 0.45
MAPT P10636 2/20 0.45
PKM P14618 1/20 0.43
PKLR P30613 1/20 0.43
P2RX4 Q99571 1/20 0.43
HPGD P15428 1/20 0.43
MCHR1 Q99705 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
RAB9A P51151 1/20 0.42
KMT2A Q03164 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
SCHEMBL27901420 0.92 DCTPP1 (0.51) DCTPP1CNR1CNR2NPBWR1NPC1
SCHEMBL25252708 0.88 PKM (0.48) DCTPP1SMN1; SMN2MAPTPKMKMT2A
SCHEMBL30491679 0.88 PKM (0.48) DCTPP1SMN1; SMN2MAPTPKMKMT2A
SCHEMBL2049090 0.84 RECQL (0.53) CNR1CNR2MAPTKMT2A
SCHEMBL25290375 0.84 RECQL (0.53) CNR1CNR2MAPTKMT2A
SCHEMBL30491733 0.84 RECQL (0.53) CNR1CNR2MAPTKMT2A
SCHEMBL25248984 0.82 PKM (0.47) DCTPP1SMN1; SMN2MAPTPKMHPGD
SCHEMBL5592504 0.82 NOS1 (0.41) DCTPP1SMN1; SMN2MAPTGRIN1GRIN2B
SCHEMBL25251187 0.81 DCTPP1 (0.44) DCTPP1NPBWR1PKMPKLRGRIN1
SCHEMBL31169334 0.81 DCTPP1 (0.44) DCTPP1NPBWR1PKMPKLRGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210277003-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-09 US disclosed
CN-101796046-A Pyrimidine derivatives 934 ASTRAZENECA AB 2010-08-04 CN disclosed
US-7718653-B2 Pyrimidine derivatives for inhibiting Eph receptors ASTRAZENECA AB (SE) 2010-05-18 US disclosed
EP-2183242-A2 PYRIMIDINE DERIVATIVES 934 AstraZeneca AB (SE) 2010-05-12 EP disclosed
US-20090023719-A1 PYRIMIDINE DERIVATIVES 934 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
WO-2009010789-A2 PYRIMIDINE DERIVATIVES 934 ASTRAZENECA AB (SE) 2009-01-22 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 (2 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-20090023719-A1 PYRIMIDINE DERIVATIVES 934 EPHB4, EPHA2, EPHB1 DCTPP1 1885/4885CNR1 648/4885CNR2 740/4885
US-20210277003-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN DCTPP1 1173/4885CNR1 4297/4885CNR2 4548/4885

“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.