SCHEMBL922958

SCHEMBL922958

NC1=NN=C(CNCCN2CCOCC2)C1=NNc1ccc(F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.38
SIGMAR1 Q99720 1/20 0.38
MAP4K4 O95819 2/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR1 P21554 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAP3K8 P41279 1/20 0.35
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL922956 1.00 EPHX2 (0.38) EPHX2SIGMAR1MAP4K4LMNAALDH1A1
SCHEMBL924547 0.86 ADORA2A (0.39) EPHX2SIGMAR1LMNAALDH1A1SMN1; SMN2
SCHEMBL924548 0.86 ADORA2A (0.39) EPHX2SIGMAR1LMNAALDH1A1SMN1; SMN2
SCHEMBL923551 0.84 EPHX2 (0.36) EPHX2SIGMAR1LMNAALDH1A1POLB
SCHEMBL923553 0.84 EPHX2 (0.36) EPHX2SIGMAR1LMNAALDH1A1POLB
SCHEMBL6622087 0.81 EPHX2 (0.38) EPHX2SIGMAR1MAP4K4LMNAALDH1A1
SCHEMBL6622081 0.81 EPHX2 (0.38) EPHX2SIGMAR1MAP4K4LMNAALDH1A1
SCHEMBL921973 0.75 CYP2A13 (0.45) ALDH1A1KDM4ECNR1SMN1; SMN2CYP3A4
SCHEMBL922426 0.74 IDO1 (0.32) KMT2A
SCHEMBL922427 0.74 IDO1 (0.32) KMT2A

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 claimed
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof DERMIRA (CANADA), INC. 2005-12-08 US 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 EPHX2 3886/4885SIGMAR1 4017/4885MAP4K4 1122/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 EPHX2 3886/4885SIGMAR1 4017/4885MAP4K4 1122/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC EPHX2 4245/4885SIGMAR1 4165/4885MAP4K4 1101/4885

“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.