SCHEMBL923732

SCHEMBL923732

CSC(=CC#N)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
ALDH1A1 P00352 4/20 0.35
MGLL Q99685 3/20 0.35
PDK1 Q15118 2/20 0.35
PDK2 Q15119 2/20 0.35
PDK3 Q15120 2/20 0.35
FAAH O00519 1/20 0.35
PHGDH O43175 1/20 0.35
ALDH2 P05091 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA9 Q16790 3/20 0.32
CA2 P00918 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
HTT P42858 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL923731 1.00 MAPT (0.43) MAPTALDH1A1MGLLPDK1PDK2
SCHEMBL12303043 1.00 MAPT (0.43) MAPTALDH1A1MGLLPDK1PDK2
SCHEMBL1490979 0.82 KDM4E (0.35) ALDH1A1KDM4E
SCHEMBL1490978 0.82 KDM4E (0.35) ALDH1A1KDM4E
SCHEMBL1490976 0.82 KDM4E (0.35) ALDH1A1KDM4E
SCHEMBL4657294 0.79 ALDH1A1 (0.37) ALDH1A1MGLLPHGDHKDM4E
SCHEMBL4657292 0.79 ALDH1A1 (0.37) ALDH1A1MGLLPHGDHKDM4E
SCHEMBL151046 0.75 MAPT (0.46) MAPTALDH1A1MGLLPDK1PDK2
SCHEMBL151045 0.75 MAPT (0.46) MAPTALDH1A1MGLLPDK1PDK2
SCHEMBL5744124 0.71 MAPT (0.46) MAPTALDH1A1MGLLPDK1PDK2

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 7 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-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 MAPT 4573/4885ALDH1A1 1614/4885MGLL 3974/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 MAPT 4573/4885ALDH1A1 1614/4885MGLL 3974/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC MAPT 4000/4885ALDH1A1 3393/4885MGLL 2827/4885

“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.