SCHEMBL923327

SCHEMBL923327

CCNC1=NN=C(N)C1=NNc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEPTOR Q8TB45 1/20 0.40
ALDH1A1 P00352 4/20 0.38
HTT P42858 1/20 0.38
ADRA2A P08913 1/20 0.34
GAA P10253 4/20 0.33
RAB9A P51151 4/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.33
NPC1 O15118 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL923326 1.00 DEPTOR (0.40) DEPTORALDH1A1HTTADRA2AGAA
SCHEMBL922071 0.81 DEPTOR (0.53) DEPTORALDH1A1HTTGAARAB9A
SCHEMBL924746 0.79 DEPTOR (0.42) DEPTORALDH1A1HTTGAARAB9A
SCHEMBL924747 0.79 DEPTOR (0.42) DEPTORALDH1A1HTTGAARAB9A
SCHEMBL923300 0.76 DEPTOR (0.46) DEPTORALDH1A1HTTGAARAB9A
SCHEMBL923301 0.76 DEPTOR (0.46) DEPTORALDH1A1HTTGAARAB9A
SCHEMBL922467 0.75 DEPTOR (0.39) DEPTORALDH1A1HTTGAARAB9A
SCHEMBL922468 0.75 DEPTOR (0.39) DEPTORALDH1A1HTTGAARAB9A
SCHEMBL922102 0.74 ALDH1A1 (0.48) DEPTORALDH1A1HTTGAARAB9A
SCHEMBL27608272 0.73 DEPTOR (0.37) DEPTORALDH1A1HTTGAARAB9A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445694-B2 Hydrazonopyrazole derivatives and their use as therapeutics DERMIRA (CANADA), INC. (US) 2013-05-21 US claimed
US-20110237783-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Valocor Therapeutics, Inc. (CA) 2011-09-29 US claimed
US-7105503-B2 Pyrazole compounds QLT INC. (CA) 2006-09-12 US claimed
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof DERMIRA (CANADA), INC. 2005-12-08 US claimed
US-20030060453-A1 Pyrazole compounds DERMIRA (CANADA), INC. 2003-03-27 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-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

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 DEPTOR 1170/4885ALDH1A1 1614/4885HTT 1145/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 DEPTOR 1170/4885ALDH1A1 1614/4885HTT 1145/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC DEPTOR 200/4885ALDH1A1 3393/4885HTT 1642/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C DEPTOR 899/4885ALDH1A1 2487/4885HTT 2491/4885

“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.