SCHEMBL157758

SCHEMBL157758

Fc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
PRKAB2 O43741 6/20 0.58
PRKAG1 P54619 6/20 0.58
PRKAA2 P54646 6/20 0.58
PRKAA1 Q13131 6/20 0.58
PRKAG3 Q9UGI9 6/20 0.58
PRKAG2 Q9UGJ0 6/20 0.58
PRKAB1 Q9Y478 6/20 0.58
FLT1 P17948 5/20 0.55
KDR P35968 5/20 0.55
FLT4 P35916 3/20 0.55
ACVR1 Q04771 1/20 0.55
SRC P12931 5/20 0.54
LCK P06239 3/20 0.54
EPHA2 P29317 3/20 0.54
RPS6KA1 Q15418 3/20 0.54
MKNK1 Q9BUB5 3/20 0.54
FLT3 P36888 2/20 0.54
BMP4 P12644 1/20 0.54

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
SCHEMBL29506836 1.00 NPC1 (0.65) NPC1RAB9APRKAB2PRKAG1PRKAA2
SCHEMBL12158770 0.84 NPC1 (0.65) NPC1RAB9APRKAB2PRKAG1PRKAA2
SCHEMBL18430928 0.84 NPC1 (0.65) NPC1RAB9APRKAB2PRKAG1PRKAA2
SCHEMBL19292009 0.84 NPC1 (0.65) NPC1RAB9APRKAB2PRKAG1PRKAA2
SCHEMBL12158775 0.82 NPC1 (0.62) NPC1RAB9APRKAB2PRKAG1PRKAA2
SCHEMBL17180934 0.82 NPC1 (0.62) NPC1RAB9APRKAB2PRKAG1PRKAA2
SCHEMBL11898739 0.80 NPC1 (0.97) NPC1RAB9APRKAB2PRKAG1PRKAA2
SCHEMBL19560190 0.80 LTA4H (0.67) NPC1RAB9AHRH3LTA4HCA12
SCHEMBL159594 0.79 NPC1 (0.58) NPC1RAB9APRKAB2PRKAG1PRKAA2
SCHEMBL10085622 0.79 SRC (0.59) NPC1RAB9APRKAB2PRKAG1PRKAA2

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 98 patents — showing the first 20. 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
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 claimed
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 claimed
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 claimed
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 claimed
US-20240343691-A1 COMPOSITIONS FOR MODULATING A KINASE CASCADE AND METHODS OF USE THEREOF ATNX SPV LLC (US) 2024-10-17 US disclosed
CN-113999166-B Synthesis method of tinib bulin 山东汇海医药化工有限公司 2023-03-31 CN disclosed
US-20220160672-A1 PHARMACEUTICAL COMPOSITIONS FOR MODULATING A KINASE CASCADE AND METHODS OF USE THEREOF SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2022-05-26 US disclosed
US-20220160672-A1 PHARMACEUTICAL COMPOSITIONS FOR MODULATING A KINASE CASCADE AND METHODS OF USE THEREOF SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2022-05-26 US disclosed
CN-113999166-A Synthesis method of tinib bulin 山东汇海医药化工有限公司 2022-02-01 CN disclosed
US-20210198202-A1 COMPOSITIONS FOR MODULATING A KINASE CASCADE AND METHODS OF USE THEREOF SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2021-07-01 US disclosed
US-20210198202-A1 COMPOSITIONS FOR MODULATING A KINASE CASCADE AND METHODS OF USE THEREOF SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2021-07-01 US disclosed
WO-2008082637-A9 COMPOSITION AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS LLC (US) 2008-09-18 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
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
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 (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-20080221102-A1 Composition and methods for modulating a kinase cascade MAP3K4, MAP3K6, MAP3K3 NPC1 3753/4885RAB9A 3365/4885PRKAB2 60/4885
US-20080287436-A1 Process for the preparation of compositions for modulating a kinase cascade and methods of use thereof MAP3K2, MAP3K6, MAP3K4 NPC1 4591/4885RAB9A 2750/4885PRKAB2 59/4885
US-20220160672-A1 PHARMACEUTICAL COMPOSITIONS FOR MODULATING A KINASE CASCADE AND METHODS OF USE THEREOF MAP3K2, MAP3K6, MAP3K10 NPC1 1437/4885RAB9A 1994/4885PRKAB2 65/4885
US-20240343691-A1 COMPOSITIONS FOR MODULATING A KINASE CASCADE AND METHODS OF USE THEREOF MAP3K2, MAP3K4, MAP3K5 NPC1 4682/4885RAB9A 2727/4885PRKAB2 71/4885
US-20210198202-A1 COMPOSITIONS FOR MODULATING A KINASE CASCADE AND METHODS OF USE THEREOF MAP3K2, MAP3K4, MAP3K5 NPC1 4693/4885RAB9A 2953/4885PRKAB2 73/4885

“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.