SCHEMBL3175290

SCHEMBL3175290

CN(C(=O)Nc1cccnc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.66
MEN1 O00255 2/20 0.66
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 4/20 0.50
MAPT P10636 3/20 0.50
CTDSP1 Q9GZU7 2/20 0.50
LMNA P02545 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
BAZ1A Q9NRL2 1/20 0.49
HTR2C P28335 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
DDX3X O00571 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL27710911 0.81 NPC1 (0.59) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA
SCHEMBL3180203 0.80 KMT2A (1.00) KMT2AMEN1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL7079557 0.78 CYP11B1 (0.74) KMT2AMEN1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL4555510 0.76 BAZ1A (0.60) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL2181678 0.75 MEN1 (0.50) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL12550512 0.74 ALDH1A1 (0.54) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL12412918 0.74 KMT2A (0.70) KMT2AMEN1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL11061703 0.74 SMN1; SMN2 (0.69) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL15155882 0.73 ATM (0.55) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL4959484 0.73 ATM (0.55) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E

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
WO-2010011620-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-28 WO disclosed
US-20100015141-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-21 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-20100015141-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD KMT2A 2072/4885MEN1 2469/4885CYP11B1 2163/4885

“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.