SCHEMBL3455883

SCHEMBL3455883

Cc1cc2nc(-c3[nH]nc4c3CCN(c3ccc([N+](=O)[O-])cn3)C4)[nH]c2cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPBWR1 P48145 5/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
NPC1 O15118 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
SCHEMBL3456385 0.85 GRIN2D (0.39) KMT2AMAPTALDH1A1NPSR1CYP1A2
SCHEMBL3455894 0.78 GAA (0.49) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3455923 0.76 KMT2A (0.40) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL14031961 0.76 KDM4E (0.38) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3456017 0.74 ALPL (0.42) MEN1KMT2ALMNAALOX12NPC1
SCHEMBL3456715 0.74 ATM (0.38) MEN1KMT2AMAPTALDH1A1ATM
SCHEMBL3455852 0.73 MAPT (0.49) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3455857 0.73 MAPT (0.49) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3455109 0.72 NPC1 (0.40) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL14031952 0.72 HPSE (0.41) KMT2AMAPTALDH1A1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2251340-A1 Substituted tetrahydro-1h-pyrazolo[3,4-c] pyridines, compositions containing same and use thereof Aventis Pharma S.A. (FR) 2010-11-17 EP disclosed
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed
US-7109340-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2006-09-19 US disclosed
US-20060199837-A1 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO [3,4-C]PYRIDINES COMPOSITIONS COMPRISING THEM, AND USE AVENTIS PHARMA S.A. (FR) 2006-09-07 US disclosed
EP-1646632-A2 SUBSTITUTED TETRAHYDRO-1 I H /I -PYRAZOLO 3,4-C|PYRIDINES, COMPOSITIONS CONTAINING SAME AND USE Aventis Pharma S.A. (FR) 2006-04-19 EP disclosed
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2005-05-05 US disclosed
WO-2005007653-A2 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINES, COMPOSITIONS CONTAINING SAME AND USE AVENTIS PHARMA S.A. (FR) 2005-01-27 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-20060199837-A1 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO [3,4-C]PYRIDINES COMPOSITIONS COMPRISING THEM, AND USE BRD4, TP53, HCCS GUSB 4246/4885MEN1 2135/4885KMT2A 2122/4885
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use BRD4, TP53, HCCS GUSB 4536/4885MEN1 1812/4885KMT2A 2265/4885

“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.