SCHEMBL923440

SCHEMBL923440

N#CC(C#N)=NNc1cccc([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.68
MEN1 O00255 12/20 0.68
KMT2A Q03164 12/20 0.68
TDP1 Q9NUW8 3/20 0.68
NPSR1 Q6W5P4 3/20 0.68
MMP14 P50281 1/20 0.68
ALDH1A1 P00352 5/20 0.62
ALOX12 P18054 2/20 0.62
HPGD P15428 1/20 0.62
SMN1; SMN2 Q16637 6/20 0.61
RAB9A P51151 5/20 0.61
NPC1 O15118 5/20 0.61
HTT P42858 3/20 0.61
BLM P54132 2/20 0.61
RECQL P46063 1/20 0.61
PKM P14618 1/20 0.58
CYP3A4 P08684 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL3582388 0.79 MEN1 (0.64) MAPTMEN1KMT2ATDP1NPSR1
SCHEMBL3582383 0.79 MEN1 (0.64) MAPTMEN1KMT2ATDP1NPSR1
SCHEMBL8746009 0.75 MAPT (0.62) MAPTMEN1KMT2ATDP1NPSR1
SCHEMBL11997899 0.75 MAPT (0.67) MAPTMEN1KMT2ATDP1NPSR1
SCHEMBL1465067 0.75 MAPT (0.67) MAPTMEN1KMT2ATDP1NPSR1
SCHEMBL260595 0.75 MAPT (0.67) MAPTMEN1KMT2ATDP1NPSR1
SCHEMBL1465068 0.75 MAPT (0.67) MAPTMEN1KMT2ATDP1NPSR1
SCHEMBL1465069 0.75 MAPT (0.67) MAPTMEN1KMT2ATDP1NPSR1
SCHEMBL260597 0.75 MAPT (0.67) MAPTMEN1KMT2ATDP1NPSR1
SCHEMBL924792 0.74 MAPT (0.68) MAPTMEN1KMT2ATDP1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS DERMIRA (CANADA), INC. (US) 2014-04-17 US disclosed
US-8445694-B2 Hydrazonopyrazole derivatives and their use as therapeutics DERMIRA (CANADA), INC. (US) 2013-05-21 US disclosed
US-20110237783-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Valocor Therapeutics, Inc. (CA) 2011-09-29 US disclosed
US-7875728-B2 tert-butyl-[5-methyl-4-(phenylhydrazono)-4H-pyrazol-3-yl]amine; 4-(3-fluorophenylhydrazono)-5-methyl-2H-pyrazol-3-ylamine; demonstrate anti-proliferative activity, and may promote apoptosis in cells lacking normal regulation of cell cycle and death Valocor Therapeutics, Inc. (CA) 2011-01-25 US disclosed
US-7105503-B2 Pyrazole compounds QLT INC. (CA) 2006-09-12 US disclosed
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof DERMIRA (CANADA), INC. 2005-12-08 US disclosed
EP-1450791-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Kinetek Pharmaceuticals, Inc. (CA) 2004-09-01 EP disclosed
WO-2003045379-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS KINETEK PHARMACEUTICALS, INC. (CA) 2003-06-05 WO disclosed
US-20030060453-A1 Pyrazole compounds DERMIRA (CANADA), INC. 2003-03-27 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 (4 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-20110237783-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 MAPT 4573/4885MEN1 3936/4885KMT2A 2931/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 MAPT 4573/4885MEN1 3936/4885KMT2A 2931/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC MAPT 4000/4885MEN1 1844/4885KMT2A 4148/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C MAPT 4486/4885MEN1 3439/4885KMT2A 3543/4885

“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.