SCHEMBL921752

SCHEMBL921752

CCOC(=O)c1cccc(NN=C(C#N)C#N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
TSHR P16473 2/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 7/20 0.52
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 4/20 0.51
MEN1 O00255 2/20 0.51
HSD17B10 Q99714 2/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CISD1 Q9NZ45 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL922500 0.84 HPGD (0.51) KMT2ATSHRALDH1A1SMN1; SMN2RAB9A
SCHEMBL22062005 0.79 KMT2A (0.55) KMT2ATSHRALDH1A1SMN1; SMN2RAB9A
SCHEMBL923126 0.76 MAPT (0.60) KMT2ATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7672431 0.76 ALDH1A1 (0.55) KMT2ATSHRALDH1A1SMN1; SMN2RAB9A
SCHEMBL584215 0.76 KMT2A (0.65) KMT2ATSHRALDH1A1SMN1; SMN2RAB9A
SCHEMBL15188841 0.76 RAPGEF3 (0.69)
SCHEMBL9938018 0.75 SMN1; SMN2 (0.63) KMT2ATSHRALDH1A1SMN1; SMN2RAB9A
SCHEMBL6323603 0.75 KMT2A (0.68) KMT2ATSHRALDH1A1SMN1; SMN2RAB9A
SCHEMBL5534870 0.75 ALDH1A1 (0.60) KMT2ATSHRALDH1A1SMN1; SMN2RAB9A
SCHEMBL5524128 0.75 KMT2A (0.60) KMT2ATSHRALDH1A1SMN1; SMN2RAB9A

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 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
US-20030060453-A1 Pyrazole compounds DERMIRA (CANADA), INC. 2003-03-27 US disclosed
EP-1276723-A2 PYRAZOLE COMPOUNDS HAVING ANTI PROLIFERATIVE ACTIVITY Kinetek Pharmaceuticals, Inc. (CA) 2003-01-22 EP disclosed
US-6436915-B1 ANTIPROLIFERATIVE AND ANTITUMOR AGENTS AND ANGIOGENESIS INHIBITORS KINETEK PHARMACEUTICALS, INC. (CA) 2002-08-20 US disclosed
US-20020042501-A1 Pyrazole compounds DERMIRA (CANADA), INC. 2002-04-11 US disclosed
WO-2001077080-A2 PYRAZOLE COMPOUNDS HAVING ANTI PROLIFERATIVE ACTIVITY KINETEK PHARMACEUTICALS, INC. (CA) 2001-10-18 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 (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 KMT2A 2931/4885TSHR 3645/4885ALDH1A1 1614/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 KMT2A 2931/4885TSHR 3645/4885ALDH1A1 1614/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC KMT2A 4148/4885TSHR 2697/4885ALDH1A1 3393/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C KMT2A 3543/4885TSHR 3594/4885ALDH1A1 2487/4885

“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.