SCHEMBL922679

SCHEMBL922679

NC1=NN=C(CN2CCOCC2)/C1=N\Nc1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DEPTOR Q8TB45 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
KDM4E B2RXH2 1/20 0.37
EGFR P00533 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
SCHEMBL922680 1.00 KCNH2 (0.44) KCNH2MEN1KMT2ADEPTORNPC1
SCHEMBL922318 0.88 CYP3A4 (0.47) KCNH2MEN1KMT2ADEPTORCYP3A4
SCHEMBL922320 0.88 CYP3A4 (0.47) KCNH2MEN1KMT2ADEPTORCYP3A4
SCHEMBL924548 0.86 ADORA2A (0.39) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL924547 0.86 ADORA2A (0.39) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL922208 0.81 DEPTOR (0.44) KCNH2MEN1KMT2ADEPTORNPC1
SCHEMBL922209 0.81 DEPTOR (0.44) KCNH2MEN1KMT2ADEPTORNPC1
SCHEMBL921373 0.81 NCF1 (0.51) KCNH2ALDH1A1SMN1; SMN2KDM4ECXCR4
SCHEMBL922322 0.79 DEPTOR (0.51) MEN1KMT2ADEPTORNPC1RAB9A
SCHEMBL922321 0.79 DEPTOR (0.51) MEN1KMT2ADEPTORNPC1RAB9A

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 KCNH2 3736/4885MEN1 3936/4885KMT2A 2931/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 KCNH2 3736/4885MEN1 3936/4885KMT2A 2931/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC KCNH2 4450/4885MEN1 1844/4885KMT2A 4148/4885

“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.