SCHEMBL1012343

SCHEMBL1012343

CC(C)(C)c1ccc(-n2nc(C(C)(C)C)cc2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 5/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
PDPK1 O15530 2/20 0.45
CDK8 P49336 1/20 0.44
LMNA P02545 3/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL1012450 0.89 NPY5R (0.49) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL366727 0.88 NPC1 (0.60) SMN1; SMN2NPC1RAB9AMAPTMEN1
Hydrochloric Acid SCHEMBL1504021 0.86 NPC1 (0.58) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL1013888 0.85 PRKCZ (0.53) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL31265664 0.85 NPC1 (0.45) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL4056715 0.85 NPC1 (0.45) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL1283896 0.85 CDK8 (0.47) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL274692 0.85 NPC1 (0.57) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL1264553 0.84 CYP1A2 (0.61) SMN1; SMN2NPC1RAB9AMAPTMEN1
Hydrochloric Acid SCHEMBL4056875 0.83 NPC1 (0.44) SMN1; SMN2NPC1RAB9AMAPTMEN1

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-10053430-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2018-08-21 US disclosed
EP-2268623-B9 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2018-02-28 EP disclosed
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2017-10-19 US disclosed
US-9730937-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2017-08-15 US disclosed
EP-3147281-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2017-03-29 EP disclosed
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2016-07-14 US disclosed
US-9320739-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2016-04-26 US disclosed
EP-2947072-A1 1-(3-(6,7-DIMETHOXYQUINAZOLIN-4-YLOXY)PHENYL)-3-(5-(1,1,1-TRIFLUORO-2-METHYLPROPAN-2-YL)ISOXAZOL-3-YL)UREA AS RAF KINASE MODULATOR IN THE TREATMENT OF CANCER DISEASES Ambit Biosciences Corporation (US) 2015-11-25 EP disclosed
US-20150246042-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2015-09-03 US disclosed
EP-2268623-B1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2015-05-06 EP disclosed
US-8969587-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2015-03-03 US disclosed
US-20140045868-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2014-02-13 US disclosed
US-8618289-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2013-12-31 US disclosed
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2011-05-19 US disclosed
EP-2268623-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2011-01-05 EP disclosed
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 WO disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 EP 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-10053430-B2 RAF kinase modulator compounds and methods of use thereof BRAF, RAF1, ARAF SMN1; SMN2 3316/4885NPC1 2965/4885RAB9A 1457/4885
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF SMN1; SMN2 3942/4885NPC1 2327/4885RAB9A 632/4885
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF SMN1; SMN2 3316/4885NPC1 2965/4885RAB9A 1457/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF SMN1; SMN2 3316/4885NPC1 2965/4885RAB9A 1457/4885
US-20150246042-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF SMN1; SMN2 3316/4885NPC1 2965/4885RAB9A 1457/4885
US-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 SMN1; SMN2 4473/4885NPC1 485/4885RAB9A 1224/4885
US-20140045868-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF SMN1; SMN2 3316/4885NPC1 2965/4885RAB9A 1457/4885

“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.