SCHEMBL921813

SCHEMBL921813

NC1=NN=C(N2CCOCC2)/C1=N\Nc1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.39
PIK3CA P42336 6/20 0.39
MTOR P42345 3/20 0.39
PIK3CG P48736 2/20 0.39
CHEK1 O14757 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 1/20 0.39
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
AKT1 P31749 1/20 0.36
PLOD2 O00469 1/20 0.35
PLOD3 O60568 1/20 0.35
PLOD1 Q02809 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAD52 P43351 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL921814 1.00 LRRK2 (0.39) LRRK2PIK3CAMTORPIK3CGCHEK1
SCHEMBL922466 0.87 ALDH1A1 (0.47) LRRK2SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL922465 0.87 ALDH1A1 (0.47) LRRK2SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL922009 0.83 MAPT (0.38) PIK3CAMTORPIK3CGSMN1; SMN2TP53
SCHEMBL922008 0.83 MAPT (0.38) PIK3CAMTORPIK3CGSMN1; SMN2TP53
SCHEMBL922422 0.81 MAPT (0.42) SMN1; SMN2KDM4ENPC1ALDH1A1GAA
SCHEMBL922208 0.81 DEPTOR (0.44) LRRK2PIK3CACHEK1SMN1; SMN2AKT1
SCHEMBL922421 0.81 MAPT (0.42) SMN1; SMN2KDM4ENPC1ALDH1A1GAA
SCHEMBL922209 0.81 DEPTOR (0.44) LRRK2PIK3CACHEK1SMN1; SMN2AKT1
SCHEMBL922016 0.79 TDO2 (0.40) TP53KMT2ARAD52NPC1GAA

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 11 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 claimed
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof DERMIRA (CANADA), INC. 2005-12-08 US claimed
EP-1450791-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Kinetek Pharmaceuticals, Inc. (CA) 2004-09-01 EP claimed
WO-2003045379-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS KINETEK PHARMACEUTICALS, INC. (CA) 2003-06-05 WO claimed
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 LRRK2 2993/4885PIK3CA 187/4885MTOR 130/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 LRRK2 2993/4885PIK3CA 187/4885MTOR 130/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC LRRK2 3879/4885PIK3CA 122/4885MTOR 153/4885

“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.