Verubulin

Verubulin

SCHEMBL3115240

COc1ccc(N(C)c2nc(C)nc3ccccc23)cc1.COc1ccc(N(C)c2nc(CCl)nc3ccccc23)cc1

nearest known ligand 0.80

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
TUBB4A known ✓ P04350 2/20 0.50
TUBB known ✓ P07437 2/20 0.50
TUBA3C known ✓ P0DPH7 2/20 0.50
TUBA1B known ✓ P68363 2/20 0.50
TUBA4A known ✓ P68366 2/20 0.50
TUBB4B known ✓ P68371 2/20 0.50
TUBB3 known ✓ Q13509 2/20 0.50
TUBB2A known ✓ Q13885 2/20 0.50
TUBB8 known ✓ Q3ZCM7 2/20 0.50
TUBA3E known ✓ Q6PEY2 2/20 0.50
TUBA1A known ✓ Q71U36 2/20 0.50
TUBA1C known ✓ Q9BQE3 2/20 0.50
TUBB6 known ✓ Q9BUF5 2/20 0.50
TUBB2B known ✓ Q9BVA1 2/20 0.50
TUBB1 known ✓ Q9H4B7 2/20 0.50
KDR P35968 8/20 0.80
EGFR P00533 6/20 0.80
PDGFRB P09619 6/20 0.80
HDAC1 Q13547 4/20 0.55
HDAC8 Q9BY41 4/20 0.55

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
SCHEMBL3121016 0.94 EGFR (0.70) KDREGFRPDGFRBCASP1CASP14
Hydrochloric Acid SCHEMBL3109775 0.93 EGFR (0.69) KDREGFRPDGFRBCASP1CASP14
Verubulin SCHEMBL2232326 0.89 KDR (1.00) KDREGFRPDGFRBHDAC1HDAC8
Verubulin SCHEMBL29379614 0.89 KDR (1.00) KDREGFRPDGFRBHDAC1HDAC8
Verubulin SCHEMBL2395194 0.88 KDR (0.97) KDREGFRPDGFRBHDAC1HDAC8
Verubulin SCHEMBL29505369 0.88 KDR (0.97) KDREGFRPDGFRBHDAC1HDAC8
Verubulin SCHEMBL3115233 0.87 KDR (0.64) KDREGFRPDGFRBHDAC1HDAC8
SCHEMBL3110573 0.83 EGFR (0.70) KDREGFRPDGFRBHDAC1HDAC8
SCHEMBL2262157 0.83 PDE5A (0.59) KDREGFRPDGFRB
SCHEMBL3114980 0.82 PDGFRB (0.54) KDREGFRPDGFRBHDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 US claimed
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-25 US claimed
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-18 US claimed
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-09-06 US claimed
JP-2007524637-A 2007-08-30 JP claimed
EP-1660092-A2 4-ARYLAMINO-QUINAZOLINES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Myriad Genetics, Inc. (US) 2006-05-31 EP claimed
WO-2005003100-A2 4-ARYLAMINO-QUINAZOLINES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS MYRIAD GENETICS, INC. (US) 2005-01-13 WO claimed
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. 2017-02-23 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-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
EP-1660092-A2 4-ARYLAMINO-QUINAZOLINES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Myriad Genetics, Inc. (US) 2006-05-31 EP disclosed
WO-2005003100-A2 4-ARYLAMINO-QUINAZOLINES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS MYRIAD GENETICS, INC. (US) 2005-01-13 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 (5 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 TUBB4A 162/4885TUBB 371/4885TUBA3C 360/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX TUBB4A 155/4885TUBB 332/4885TUBA3C 327/4885
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX TUBB4A 162/4885TUBB 371/4885TUBA3C 360/4885
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX TUBB4A 162/4885TUBB 371/4885TUBA3C 360/4885
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX TUBB4A 162/4885TUBB 371/4885TUBA3C 360/4885

“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.