SCHEMBL922995

SCHEMBL922995

NC1=NN=C(N)C1=NNc1c(O)ccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.42
HCRTR1 O43613 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
MAPT P10636 6/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 3/20 0.40
GAA P10253 2/20 0.40
HKDC1 Q2TB90 1/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 3/20 0.39
TAAR1 Q96RJ0 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL26118032 0.79 CDK2 (0.33) ALDH1A1HPGDLMNAHSD17B10TDP1
SCHEMBL922339 0.76 KDM4E (0.42) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL26117583 0.72 KDM1A (0.35) MAPTMEN1KMT2APOLBGAA
SCHEMBL28872379 0.71 PTPN22 (0.54) G6PDHCRTR1PTPN22MAPTPOLB
SCHEMBL15630315 0.69 PTPN22 (0.56) G6PDHCRTR1PTPN22MAPTPOLB
SCHEMBL17690439 0.68 PTPN22 (0.54) G6PDHCRTR1PTPN22MAPTPOLB
SCHEMBL14239983 0.68 G6PD (0.57) G6PDHCRTR1PTPN22MAPTPOLB
SCHEMBL7302607 0.67 KDM1A (0.54) G6PDHCRTR1PTPN22MAPTMEN1
SCHEMBL5320235 0.66 GAA (0.58) G6PDHCRTR1PTPN22MAPTMEN1
SCHEMBL28769360 0.66 KDM4E (0.51) G6PDHCRTR1PTPN22MAPTMEN1

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 G6PD 428/4885HCRTR1 3690/4885PTPN22 744/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 G6PD 428/4885HCRTR1 3690/4885PTPN22 744/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC G6PD 637/4885HCRTR1 3124/4885PTPN22 357/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C G6PD 413/4885HCRTR1 4317/4885PTPN22 677/4885

“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.