SCHEMBL1012831

SCHEMBL1012831

COc1cc(O)c2c(=O)n(COC(=O)C(C)(C)C)cnc2c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.52
ESR1 P03372 5/20 0.52
TNF P01375 6/20 0.36
HDAC6 Q9UBN7 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3178090 0.85 PRKCA (0.42) ESR2ESR1NPC1RAB9ANPSR1
SCHEMBL21177886 0.85 LMNA (0.35) ESR2ESR1TNFHDAC6POLB
SCHEMBL3177738 0.83 TNF (0.39) ESR2ESR1TNFHDAC6NPC1
SCHEMBL3056830 0.80 HSD17B13 (0.40) NPC1NPSR1
SCHEMBL3280568 0.79 SRC (0.43) TNFRAB9A
SCHEMBL4038428 0.79 RAF1 (0.41) TNF
SCHEMBL666304 0.77 HDAC6 (0.54) TNFHDAC6POLBGAANPSR1
SCHEMBL3282947 0.77 HDAC6 (0.38) ESR2TNFHDAC6POLBKMT2A
SCHEMBL13646422 0.77 TNF (0.56) TNFHDAC6POLBGAANPSR1
SCHEMBL4036427 0.77 EGFR (0.41)

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 47 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
EP-1463506-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES Astrazeneca AB (SE) 2004-10-06 EP disclosed
EP-1450808-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES Astrazeneca AB (SE) 2004-09-01 EP disclosed
EP-1292594-B1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2004-09-01 EP disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003055491-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2003-07-10 WO disclosed
WO-2003045395-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF T CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 WO disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
WO-2001094341-A9 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2003-04-17 WO disclosed
EP-1292594-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS AstraZeneca AB (SE) 2003-03-19 EP disclosed
WO-2001094341-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2001-12-13 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 (4 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 ESR2 2301/4885ESR1 3815/4885TNF 3261/4885
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ESR2 2301/4885ESR1 3815/4885TNF 3261/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ESR2 2301/4885ESR1 3815/4885TNF 3261/4885
US-20150246042-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ESR2 2301/4885ESR1 3815/4885TNF 3261/4885

“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.