SCHEMBL1012878

SCHEMBL1012878

COc1ccc(-n2nc(C(C)(C)C)cc2N)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 1/20 0.42
LMNA P02545 1/20 0.41
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
TNF P01375 1/20 0.40
PIK3CA P42336 3/20 0.39
PIK3CD O00329 2/20 0.39
PIP5K1C O60331 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
HCK P08631 1/20 0.38
SRC P12931 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK14 Q16539 1/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL2245333 0.86 PIK3CD (0.41) PTK2BLMNATNFPIK3CAPIK3CD
SCHEMBL9910330 0.84 PTK2B (0.45) PTK2BRAF1BRAFTNFHCK
SCHEMBL368862 0.81 KDM4E (0.44) LMNAMAPK14MEN1KMT2ANPC1
SCHEMBL29396841 0.81 KDM4E (0.44) LMNAMAPK14MEN1KMT2ANPC1
SCHEMBL14353634 0.81 LMNA (0.63) LMNAPIK3CAPIK3CDPIP5K1CPIK3CB
SCHEMBL9909704 0.81 PTK2B (0.41) PTK2BRAF1BRAFTNFPIK3CD
SCHEMBL13430425 0.80 CDK8 (0.40) LMNAMAPK12MAPK14MEN1KMT2A
SCHEMBL20386628 0.80 LMNA (0.43) LMNAPIK3CAPIK3CDPIP5K1CPIK3CB
SCHEMBL273437 0.80 LMNA (0.65) PTK2BLMNAMAPK12MAPK14MEN1
SCHEMBL15484918 0.79 PIK3CD (0.42) LMNAPIK3CAPIK3CDPIP5K1CPIK3CB

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10358445-B2 Respiratory formulations and compounds for use therein Respivert, Ltd. (GB) 2019-07-23 US disclosed
EP-2556068-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2019-01-23 EP disclosed
US-10053430-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2018-08-21 US disclosed
US-20180201611-A1 Respiratory formulations and compounds for use therein RESPIVERT LTD. (GB) 2018-07-19 US disclosed
US-20180201611-A1 Respiratory formulations and compounds for use therein RESPIVERT LTD. (GB) 2018-07-19 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-9732063-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2017-08-15 US disclosed
US-9730937-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2017-08-15 US disclosed
US-9701670-B2 Pyrazolyl-ureas as kinase inhibitors RESPIVERT LIMITED (GB) 2017-07-11 US disclosed
US-20130156826-A1 RESPIRATORY FORMULATIONS AND COMPOUNDS FOR USE THEREIN RESPIVERT LIMITED (GB) 2013-06-20 US disclosed
US-20130040962-A1 P38 MAP Kinase Inhibitors RESPIVERT LTD (GB) 2013-02-14 US disclosed
US-20130040962-A1 P38 MAP Kinase Inhibitors RESPIVERT LTD (GB) 2013-02-14 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
EP-1480973-B1 1,4-DISUBSTITUTED BENZOFUSED CYCLOALKYL UREA COMPOUNDS USEFUL IN TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMA (US) 2008-02-13 EP disclosed
EP-1480973-B1 1,4-DISUBSTITUTED BENZOFUSED CYCLOALKYL UREA COMPOUNDS USEFUL IN TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMA (US) 2008-02-13 EP disclosed
US-7041669-B2 1,4-benzofused urea compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-05-09 US disclosed
US-20030232865-A1 1,4-Benzofused urea compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-18 US 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 (8 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 PTK2B 231/4885LMNA 2716/4885RAF1 2/4885
US-20130156826-A1 RESPIRATORY FORMULATIONS AND COMPOUNDS FOR USE THEREIN TSLP, CCL11, RORB PTK2B 3147/4885LMNA 2963/4885RAF1 3197/4885
US-20030232865-A1 1,4-Benzofused urea compounds useful in treating cytokine mediated diseases IL1A, IL1B, XDH PTK2B 4524/4885LMNA 2353/4885RAF1 1914/4885
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF PTK2B 482/4885LMNA 3490/4885RAF1 2/4885
US-10358445-B2 Respiratory formulations and compounds for use therein TSLP, CCL11, RORB PTK2B 3147/4885LMNA 2963/4885RAF1 3197/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF PTK2B 231/4885LMNA 2716/4885RAF1 2/4885
US-20130040962-A1 P38 MAP Kinase Inhibitors MAPK15, MAPK1, MAP3K15 PTK2B 198/4885LMNA 3242/4885RAF1 63/4885
US-20180201611-A1 Respiratory formulations and compounds for use therein TSLP, CCL11, RORB PTK2B 3147/4885LMNA 2963/4885RAF1 3197/4885

“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.