Verubulin

Verubulin

SCHEMBL13413700

[2H]c1c([2H])c(N(C)c2nc(C)nc3ccccc23)c([2H])c([2H])c1OC

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8

The experimentally established mechanism targets of Verubulin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.74
PDGFRB P09619 4/20 0.74
KDR P35968 4/20 0.74
HDAC8 Q9BY41 8/20 0.50
HDAC6 Q9UBN7 8/20 0.50
HDAC1 Q13547 7/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2E1 P05181 1/20 0.48
CYP3A4 P08684 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
CASP1 P29466 1/20 0.47
CASP14 P31944 1/20 0.47
CASP3 P42574 1/20 0.47
CASP2 P42575 1/20 0.47
CASP4 P49662 1/20 0.47
CASP5 P51878 1/20 0.47
CASP7 P55210 1/20 0.47
CASP9 P55211 1/20 0.47

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
Verubulin SCHEMBL2232326 0.85 KDR (1.00) EGFRPDGFRBKDRHDAC8HDAC6
Verubulin SCHEMBL29379614 0.85 KDR (1.00) EGFRPDGFRBKDRHDAC8HDAC6
Verubulin SCHEMBL2395194 0.84 KDR (0.97) EGFRPDGFRBKDRHDAC8HDAC6
Verubulin SCHEMBL29505369 0.84 KDR (0.97) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL2259608 0.79 EGFR (0.74) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL2257287 0.79 PDGFRB (0.70) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL3110980 0.78 EGFR (0.69) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL12363456 0.77 EGFR (0.67) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL3113169 0.76 EGFR (0.66) EGFRPDGFRBKDRHDAC8HDAC6
Verubulin SCHEMBL3115240 0.76 KDR (0.80) EGFRPDGFRBKDRHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 US disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 US disclosed
US-7618975-B2 4-arylamino-quinazolines and analogs as activators of caspases and inducers of apoptosis and the use thereof MYRIAD PHARMACEUTICALS, INC. (US) 2009-11-17 US disclosed
US-20080039479-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2008-02-14 US disclosed
US-20080032974-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2008-02-07 US disclosed
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-25 US disclosed
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-18 US disclosed
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-18 US disclosed
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-09-06 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 (8 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-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX EGFR 2915/4885PDGFRB 2620/4885KDR 3716/4885
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX EGFR 3147/4885PDGFRB 2783/4885KDR 3722/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX EGFR 2648/4885PDGFRB 2627/4885KDR 3809/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX EGFR 2915/4885PDGFRB 2620/4885KDR 3716/4885
US-20080032974-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX EGFR 2915/4885PDGFRB 2620/4885KDR 3716/4885
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX EGFR 2915/4885PDGFRB 2620/4885KDR 3716/4885
US-20080039479-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX EGFR 2915/4885PDGFRB 2620/4885KDR 3716/4885
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX EGFR 2915/4885PDGFRB 2620/4885KDR 3716/4885

“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.