SCHEMBL2201783

SCHEMBL2201783

O=[N+]([O-])c1ccc(Cc2ccc[c]c2[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 2/20 0.41
IDO1 P14902 2/20 0.40
AKR1C3 P42330 1/20 0.40
PTPRF P10586 1/20 0.40
PTPN2 P17706 1/20 0.40

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
SCHEMBL58862 0.76 MEN1 (0.36) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL27806339 0.75 LOXL2 (0.37) LOXL2ALDH1A1TSHR
SCHEMBL16957068 0.75 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TSHRCA12
SCHEMBL6827681 0.74 POLB (0.49) POLBLOXL2ALDH1A1MEN1KMT2A
SCHEMBL9769704 0.73 ALDH1A1 (0.55) POLBLOXL2ALDH1A1MEN1KMT2A
SCHEMBL11206721 0.73 POLB (0.51) POLBLOXL2ALDH1A1MEN1KMT2A
SCHEMBL10544797 0.73 POLB (0.51) POLBLOXL2ALDH1A1MEN1KMT2A
SCHEMBL8094050 0.73 POLB (0.76) POLBLOXL2ALDH1A1MEN1KMT2A
SCHEMBL44366 0.73 POLB (0.76) POLBLOXL2ALDH1A1MEN1KMT2A
SCHEMBL8087428 0.73 POLB (0.76) POLBLOXL2ALDH1A1MEN1KMT2A

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-7977325-B2 3-amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2011-07-12 US disclosed
US-20090030010-A1 3-Amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents GENESYS CLOUD SERVICES, INC. 2009-01-29 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-20090030010-A1 3-Amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents MAP4K2, ABL1, MAP4K3 POLB 3096/4885LOXL2 2506/4885ALDH1A1 2786/4885

“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.