SCHEMBL2293047

SCHEMBL2293047

O=C1CCC(Nc2c([N+](=O)[O-])cnc3c2ccn3S(=O)(=O)c2ccccc2)CN1Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HTR6 P50406 8/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 2/20 0.33
PKM P14618 2/20 0.33
GAA P10253 1/20 0.33
TNF P01375 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2293598 0.88 MAPK1 (0.40) MAPK1KMT2AMEN1HTR6POLB
SCHEMBL2278662 0.87 MAPK1 (0.48) MAPK1KMT2AMEN1HTR6MAPT
SCHEMBL2278657 0.87 MAPK1 (0.48) MAPK1KMT2AMEN1HTR6MAPT
SCHEMBL2278472 0.86 HTR6 (0.36) KMT2AMEN1HTR6POLBMAPT
SCHEMBL2282617 0.86 MAPK1 (0.54) MAPK1KMT2AMEN1HTR6MAPT
SCHEMBL2270617 0.85 JAK2 (0.44) MAPK1KMT2AMEN1HTR6POLB
SCHEMBL2270606 0.85 JAK2 (0.44) MAPK1KMT2AMEN1HTR6POLB
SCHEMBL2273831 0.82 PDE4B (0.40) KMT2AMEN1HTR6MAPTALDH1A1
SCHEMBL30368521 0.82 PDE4B (0.40) KMT2AMEN1HTR6MAPTALDH1A1
SCHEMBL12384864 0.82 FGFR4 (0.37) KMT2AMEN1HTR6PKMALDH1A1

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 MAPK1 2009/4885KMT2A 1997/4885MEN1 298/4885

“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.