SCHEMBL10085622

SCHEMBL10085622

O=CCc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.59
ABL1 P00519 1/20 0.59
TUBB4A P04350 1/20 0.59
TUBB P07437 1/20 0.59
LYN P07948 1/20 0.59
TUBA3C P0DPH7 1/20 0.59
BCR P11274 1/20 0.59
TUBA1B P68363 1/20 0.59
TUBA4A P68366 1/20 0.59
TUBB4B P68371 1/20 0.59
TUBB3 Q13509 1/20 0.59
TUBB2A Q13885 1/20 0.59
TUBB8 Q3ZCM7 1/20 0.59
TUBA3E Q6PEY2 1/20 0.59
TUBA1A Q71U36 1/20 0.59
TUBA1C Q9BQE3 1/20 0.59
TUBB6 Q9BUF5 1/20 0.59
TUBB2B Q9BVA1 1/20 0.59
TUBB1 Q9H4B7 1/20 0.59
NPC1 O15118 1/20 0.58

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
SCHEMBL12158775 0.84 NPC1 (0.62) SRCABL1TUBB4ATUBBLYN
SCHEMBL254273 0.83 TUBB4A (0.72) SRCABL1TUBB4ATUBBLYN
SCHEMBL12993444 0.82 SRC (0.68) SRCABL1TUBB4ATUBBLYN
SCHEMBL159594 0.81 NPC1 (0.58) SRCABL1TUBB4ATUBBLYN
SCHEMBL5738766 0.81 LTA4H (0.66) NPC1RAB9ACA12CA1CA2
SCHEMBL155785 0.80 TUBB4A (0.68) SRCABL1TUBB4ATUBBLYN
SCHEMBL30727814 0.80 TUBB4A (0.68) SRCABL1TUBB4ATUBBLYN
SCHEMBL18430928 0.79 NPC1 (0.65) SRCABL1TUBB4ATUBBLYN
SCHEMBL19292009 0.79 NPC1 (0.65) SRCABL1TUBB4ATUBBLYN
SCHEMBL29506836 0.79 NPC1 (0.65) SRCABL1TUBB4ATUBBLYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309549-B2 Compositions for modulating a kinase cascade and methods of use thereof KINEX PHARMACEUTICALS, LLC (US) 2012-11-13 US disclosed
US-8293739-B2 Process for the preparation of compositions for modulating a kinase cascade and methods of use thereof KINEX PHARMACEUTICALS, LLC (US) 2012-10-23 US disclosed
WO-2011129936-A9 COMPOSITIONS AND METHODS FOR THE PREVENTION AND TREATMENT OF CANCER KINEX PHARMACEUTICALS, LLC (US) 2012-03-08 WO disclosed
US-20110281872-A1 COMPOSITIONS AND METHODS FOR THE PREVENTION AND TREATMENT OF CANCER KINEX PHARMACEUTICALS, LLC (US) 2011-11-17 US disclosed
WO-2011129936-A2 COMPOSITIONS AND METHODS FOR THE PREVENTION AND TREATMENT OF CANCER KINEX PHARMACEUTICALS, LLC (US) 2011-10-20 WO disclosed
US-20110201612-A1 Compositions for Modulating a Kinase Cascade and Methods of Use Thereof KINEX PHARMACEUTICALS, LLC (US) 2011-08-18 US disclosed
US-20110201611-A1 Process for the Preparation of Compositions for Modulating a Kinase Cascade and Methods of Use Thereof KINEX PHARMACEUTICALS, LLC (US) 2011-08-18 US disclosed
US-7939529-B2 Substantially pure 2-(5-(4-(2-morpholinoethoxy)phenyl)pyridin-2-yl)-N-benzylacetamide salts, solvates, hydrates, prodrugs; hyperproliferative disorders, cancers, pre-cancers, osteoporosis, cardiovascular disorders; bacterial, fungal, parasitic or viral infection KINEX PHARMACEUTICALS, LLC (US) 2011-05-10 US disclosed
US-7935697-B2 Compositions for modulating a kinase cascade and methods of use thereof KINEX PHARMACEUTICALS, LLC (US) 2011-05-03 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
US-20100278776-A1 PHARMACEUTICAL COMPOSITIONS FOR MODULATING A KINASE CASCADE AND METHODS OF USE THEREOF KINEX PHARMACEUTICALS, LLC (US) 2010-11-04 US disclosed
US-20090318450-A1 COMPOSITIONS FOR MODULATING A KINASE CASCADE AND METHODS OF USE THEREOF KINEX PHARMACEUTICALS, LLC (US) 2009-12-24 US 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
US-20080287436-A1 Process for the preparation of compositions for modulating a kinase cascade and methods of use thereof SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2008-11-20 US 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
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 (7 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-20100278776-A1 PHARMACEUTICAL COMPOSITIONS FOR MODULATING A KINASE CASCADE AND METHODS OF USE THEREOF MAP3K2, MAP3K6, MAP3K10 SRC 35/4885ABL1 74/4885TUBB4A 2153/4885
US-20080221102-A1 Composition and methods for modulating a kinase cascade MAP3K4, MAP3K6, MAP3K3 SRC 82/4885ABL1 170/4885TUBB4A 2746/4885
US-20110201611-A1 Process for the Preparation of Compositions for Modulating a Kinase Cascade and Methods of Use Thereof MAP3K2, MAP3K6, MAP3K4 SRC 133/4885ABL1 44/4885TUBB4A 1724/4885
US-20080287436-A1 Process for the preparation of compositions for modulating a kinase cascade and methods of use thereof MAP3K2, MAP3K6, MAP3K4 SRC 133/4885ABL1 44/4885TUBB4A 1724/4885
US-20090318450-A1 COMPOSITIONS FOR MODULATING A KINASE CASCADE AND METHODS OF USE THEREOF MAP3K2, MAP3K4, MAP3K5 SRC 185/4885ABL1 105/4885TUBB4A 1606/4885
US-20110281872-A1 COMPOSITIONS AND METHODS FOR THE PREVENTION AND TREATMENT OF CANCER TP53, MKI67, BRCA1 SRC 516/4885ABL1 1158/4885TUBB4A 463/4885
US-20110201612-A1 Compositions for Modulating a Kinase Cascade and Methods of Use Thereof MAP3K2, MAP3K4, MAP3K5 SRC 185/4885ABL1 105/4885TUBB4A 1606/4885

“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.