SCHEMBL923310

SCHEMBL923310

Cn1cccc1C1=NN=C(N)C1=NNc1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2A13 Q16696 1/20 0.44
NAMPT P43490 3/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
TBK1 Q9UHD2 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAP4K4 O95819 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HTR2B P41595 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR2C P28335 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
SCHEMBL923309 1.00 ALDH1A1 (0.44) ALDH1A1CYP2A6CYP2A13NAMPTCYP1A2
SCHEMBL922477 0.87 DEPTOR (0.36) ALDH1A1CYP2A6CYP2A13KDM4EMEN1
SCHEMBL922479 0.87 DEPTOR (0.36) ALDH1A1CYP2A6CYP2A13KDM4EMEN1
SCHEMBL922016 0.79 TDO2 (0.40) NAMPTTP53MAPTKMT2ATDO2
SCHEMBL923769 0.78 PIK3CA (0.38) ALDH1A1CYP1A2CYP3A4KDM4EMEN1
SCHEMBL923768 0.78 PIK3CA (0.38) ALDH1A1CYP1A2CYP3A4KDM4EMEN1
SCHEMBL923911 0.78 MAPT (0.37) ALDH1A1MEN1TP53MAPTKMT2A
SCHEMBL923909 0.78 MAPT (0.37) ALDH1A1MEN1TP53MAPTKMT2A
SCHEMBL922785 0.76 ALDH1A1 (0.38) ALDH1A1NAMPTKDM4ETP53MAPT
SCHEMBL922786 0.76 ALDH1A1 (0.38) ALDH1A1NAMPTKDM4ETP53MAPT

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 ALDH1A1 1614/4885CYP2A6 2907/4885CYP2A13 1795/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 ALDH1A1 1614/4885CYP2A6 2907/4885CYP2A13 1795/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC ALDH1A1 3393/4885CYP2A6 4420/4885CYP2A13 3998/4885

“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.