SCHEMBL1011692

SCHEMBL1011692

Cc1ccc(-n2nc(C(C)(C)C)cc2N)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
OPRM1 P35372 1/20 0.40
CDK8 P49336 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HCAR1 Q9BXC0 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL3869436 0.87 KDM4E (0.43) KDM4EOPRM1CDK8ALDH1A1MAPT
SCHEMBL1013289 0.84 ALDH1A1 (0.56) KDM4ECDK8ALDH1A1MAPTMAPK13
Hydrochloric Acid SCHEMBL1492473 0.83 ALDH1A1 (0.55) KDM4ECDK8ALDH1A1MAPTMAPK13
SCHEMBL13652991 0.82 CDK8 (0.42) KDM4ECDK8ALDH1A1MAPK13MAPK12
SCHEMBL3973567 0.79 NR1I2 (0.52) KDM4EALDH1A1MAPTTP53CYP3A4
SCHEMBL366727 0.78 NPC1 (0.60) KDM4ECDK8ALDH1A1MAPTMAPK13
SCHEMBL1010944 0.77 KDM4E (0.40) KDM4ECDK8ALDH1A1MAPTMAPK13
Hydrochloric Acid SCHEMBL1504021 0.77 NPC1 (0.58) KDM4ECDK8ALDH1A1MAPTMAPK13
SCHEMBL1013681 0.76 ALDH1A1 (0.67) KDM4EALDH1A1MAPTMAPK13MAPK12
SCHEMBL1013329 0.75 KDM4E (0.41) KDM4ECDK8ALDH1A1MAPTMAPK13

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 22 patents — showing the first 20. 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-8618289-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2013-12-31 US disclosed
US-20120184561-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2012-07-19 US disclosed
US-8030311-B2 Phenylacetamides suitable as protein kinase inhibitors NOVARTIS AG (CH) 2011-10-04 US disclosed
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2011-05-19 US disclosed
EP-1874770-B1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-09 EP 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-20080319005-A1 Phenylacetamides Suitable as Protein Kinase Inhibitors NOVARTIS AG (CH) 2008-12-25 US disclosed
EP-1874770-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS Novartis Pharma AG (CH) 2008-01-09 EP disclosed
WO-2006108640-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2006-10-19 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-10053430-B2 RAF kinase modulator compounds and methods of use thereof BRAF, RAF1, ARAF KDM4E 1824/4885OPRM1 4195/4885CDK8 222/4885
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF KDM4E 2179/4885OPRM1 3829/4885CDK8 531/4885
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF KDM4E 1824/4885OPRM1 4195/4885CDK8 222/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF KDM4E 1824/4885OPRM1 4195/4885CDK8 222/4885
US-20120184561-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS MAP3K10, MAP3K20, MAP3K9 KDM4E 883/4885OPRM1 3907/4885CDK8 196/4885
US-20150246042-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF KDM4E 1824/4885OPRM1 4195/4885CDK8 222/4885
US-20080319005-A1 Phenylacetamides Suitable as Protein Kinase Inhibitors MAP3K20, MAP3K10, MAP3K9 KDM4E 988/4885OPRM1 3764/4885CDK8 195/4885

“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.