SCHEMBL922601

SCHEMBL922601

COc1ccc(NN=C2C(N)=NN=C2N)cc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.44
TUBB P07437 4/20 0.44
TUBA3C P0DPH7 4/20 0.44
TUBA1B P68363 4/20 0.44
TUBA4A P68366 4/20 0.44
TUBB4B P68371 4/20 0.44
TUBB3 Q13509 4/20 0.44
TUBB2A Q13885 4/20 0.44
TUBB8 Q3ZCM7 4/20 0.44
TUBA3E Q6PEY2 4/20 0.44
TUBA1A Q71U36 4/20 0.44
TUBA1C Q9BQE3 4/20 0.44
TUBB6 Q9BUF5 4/20 0.44
TUBB2B Q9BVA1 4/20 0.44
TUBB1 Q9H4B7 4/20 0.44
MPO P05164 1/20 0.42
RET P07949 1/20 0.40
KIF5B P33176 1/20 0.40
KDR P35968 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL921969 0.87 MAPT (0.43) CYP1A2MAPTKMT2ALMNAGAA
SCHEMBL924016 0.83 MAPT (0.46) MAPTMEN1RAB9AKMT2ANPC1
SCHEMBL922551 0.83 RAB9A (0.39) TUBB1MEN1RAB9AKMT2ANPC1
SCHEMBL921915 0.78 ALDH1A1 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7921590 0.77 TUBB4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL924770 0.75 NR4A1 (0.46) RECQLCYP1A2MAPTMEN1RAB9A
SCHEMBL7921582 0.74 MPO (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL924345 0.74 MEN1 (0.46) MAPTMEN1RAB9AKMT2ANPC1
SCHEMBL922292 0.73 MAPT (0.46) RECQLMAPTMEN1RAB9AKMT2A
SCHEMBL922084 0.72 KMT2A (0.43) CYP1A2MAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214813-B1 AZOPYRAZOLES KINETEK PHARMACEUTICALS, INC. (CA) 2001-04-10 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
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
US-6214813-B1 AZOPYRAZOLES KINETEK PHARMACEUTICALS, INC. (CA) 2001-04-10 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 TUBB4A 2672/4885TUBB 2589/4885TUBA3C 2499/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 TUBB4A 2672/4885TUBB 2589/4885TUBA3C 2499/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC TUBB4A 3331/4885TUBB 3574/4885TUBA3C 3531/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C TUBB4A 2635/4885TUBB 2744/4885TUBA3C 2271/4885

“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.