SCHEMBL254273

SCHEMBL254273

O=C(O)Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 5/20 0.72
TUBB P07437 5/20 0.72
TUBA3C P0DPH7 5/20 0.72
TUBA1B P68363 5/20 0.72
TUBA4A P68366 5/20 0.72
TUBB4B P68371 5/20 0.72
TUBB3 Q13509 5/20 0.72
TUBB2A Q13885 5/20 0.72
TUBB8 Q3ZCM7 5/20 0.72
TUBA3E Q6PEY2 5/20 0.72
TUBA1A Q71U36 5/20 0.72
TUBA1C Q9BQE3 5/20 0.72
TUBB6 Q9BUF5 5/20 0.72
TUBB2B Q9BVA1 5/20 0.72
TUBB1 Q9H4B7 5/20 0.72
SRC P12931 3/20 0.72
ABL1 P00519 1/20 0.72
LYN P07948 1/20 0.72
BCR P11274 1/20 0.72
NPC1 O15118 1/20 0.60

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
SCHEMBL12993444 0.90 SRC (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL155785 0.88 TUBB4A (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30727814 0.88 TUBB4A (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10132862 0.85 TUBB4A (0.73) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28502559 0.84 NPC1 (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10132860 0.84 TUBB4A (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Tirbanibulin SCHEMBL29386081 0.84 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Tirbanibulin SCHEMBL153779 0.84 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12158775 0.83 NPC1 (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Tirbanibulin SCHEMBL159586 0.83 TUBB4A (0.98) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155681-B1 PROCESS FOR THE PREPARATION OF COMPOSITIONS FOR MODULATING A KINASE CASCADE AND METHODS OF USE THEREOF ATHENEX INC (US) 2018-05-02 EP claimed
EP-2114934-B1 COMPOSITION AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS LLC (US) 2015-10-21 EP claimed
WO-2011129936-A9 COMPOSITIONS AND METHODS FOR THE PREVENTION AND TREATMENT OF CANCER KINEX PHARMACEUTICALS, LLC (US) 2012-03-08 WO disclosed
WO-2011129936-A2 COMPOSITIONS AND METHODS FOR THE PREVENTION AND TREATMENT OF CANCER KINEX PHARMACEUTICALS, LLC (US) 2011-10-20 WO disclosed
US-7851470-B2 Composition and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2010-12-14 US disclosed
US-7851470-B2 Composition and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2010-12-14 US disclosed
WO-2010135429-A2 COMPOSITIONS FOR MODULATING A KINASE CASCADE AND METHODS OF USE THEREOF KINEX PHARMACEUTICALS, LLC (US) 2010-11-25 WO disclosed
EP-2155681-A1 PROCESS FOR THE PREPARATION OF COMPOSITIONS FOR MODULATING A KINASE CASCADE AND METHODS OF USE THEREOF Kinex Pharmaceuticals, LLC (US) 2010-02-24 EP disclosed
WO-2009051848-A1 PHARMACEUTICAL COMPOSITIONS FOR MODULATING A KINASE CASCADE AND METHODS OF USE THEREOF KINEX PHARMACEUTICALS, LLC (US) 2009-04-23 WO disclosed
WO-2008144045-A1 PROCESS FOR THE PREPARATION OF COMPOSITIONS FOR MODULATING A KINASE CASCADE AND METHODS OF USE THEREOF KINEX PHARMACEUTICALS, LLC (US) 2008-11-27 WO disclosed
WO-2008144045-A1 PROCESS FOR THE PREPARATION OF COMPOSITIONS FOR MODULATING A KINASE CASCADE AND METHODS OF USE THEREOF KINEX PHARMACEUTICALS, LLC (US) 2008-11-27 WO disclosed
WO-2008082637-A9 COMPOSITION AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS LLC (US) 2008-09-18 WO disclosed
US-20080221102-A1 Composition and methods for modulating a kinase cascade SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2008-09-11 US disclosed
US-20080221102-A1 Composition and methods for modulating a kinase cascade SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2008-09-11 US disclosed
WO-2008082637-A1 COMPOSITION AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2008-07-10 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 (1 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-20080221102-A1 Composition and methods for modulating a kinase cascade MAP3K4, MAP3K6, MAP3K3 TUBB4A 2746/4885TUBB 2407/4885TUBA3C 3570/4885

“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.