SCHEMBL379112

SCHEMBL379112

COc1ccc(C(F)(F)F)cc1NC(=O)Nc1c(F)cccc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 8/20 0.51
MAPK14 Q16539 1/20 0.48
KDM4E B2RXH2 3/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.46
BRAF P15056 1/20 0.46
MAPT P10636 3/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL31686438 1.00 RAF1 (0.51) RAF1MAPK14KDM4EHPGDCYP1A2
SCHEMBL30863324 1.00 RAF1 (0.51) RAF1MAPK14KDM4EHPGDCYP1A2
SCHEMBL30863330 0.87 RAF1 (0.51) RAF1MAPK14KDM4EHPGDPOLB
SCHEMBL8793986 0.87 RAF1 (0.51) RAF1MAPK14KDM4EHPGDCYP1A2
SCHEMBL379862 0.83 RAB9A (0.59) RAF1MAPK14KDM4EHPGDBRAF
SCHEMBL30667490 0.83 RAB9A (0.59) RAF1MAPK14KDM4EHPGDBRAF
SCHEMBL31440788 0.83 KMT2A (0.61) RAF1MAPK14KDM4EHPGDCYP1A2
SCHEMBL16428166 0.83 RAF1 (0.46) RAF1MAPK14KDM4EHPGDCYP1A2
SCHEMBL379266 0.83 RAF1 (0.46) RAF1MAPK14KDM4EHPGDCYP1A2
SCHEMBL379265 0.83 RAF1 (0.46) RAF1MAPK14KDM4EHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893587-B1 METHOD FOR PRODUCING DIHYDROQUINAZOLINES AICURIS GMBH & CO KG (DE) 2012-01-25 EP claimed
US-8084604-B2 Process for the preparation of dihydroquinazolines Aicuris GmbH & Co., KG (DE) 2011-12-27 US claimed
US-20090221822-A1 Process for the Preparation of Dihydroquinazolines BAYER HEALTHCARE AG (DE) 2009-09-03 US claimed
WO-2016109360-A1 DIHYDROQUINAZOLINE INHIBITORS OF VIRAL TERMINASE AUSPEX PHARMACEUTICALS, INC. (US) 2016-07-07 WO disclosed
WO-2016109360-A1 DIHYDROQUINAZOLINE INHIBITORS OF VIRAL TERMINASE AUSPEX PHARMACEUTICALS, INC. (US) 2016-07-07 WO disclosed
US-8816075-B2 Process for the preparation of dihydroquinazolines AICURIS GMBH & CO. KG (DE) 2014-08-26 US disclosed
US-8816075-B2 Process for the preparation of dihydroquinazolines AICURIS GMBH & CO. KG (DE) 2014-08-26 US disclosed
US-8816075-B2 Process for the preparation of dihydroquinazolines AICURIS GMBH & CO. KG (DE) 2014-08-26 US disclosed
US-20130066073-A1 PROCESS FOR THE PREPARATION OF DIHYDROQUINAZOLINES AIC246 AG & CO. KG (DE) 2013-03-14 US disclosed
US-20130066073-A1 PROCESS FOR THE PREPARATION OF DIHYDROQUINAZOLINES AIC246 AG & CO. KG (DE) 2013-03-14 US disclosed
US-20130066073-A1 PROCESS FOR THE PREPARATION OF DIHYDROQUINAZOLINES AIC246 AG & CO. KG (DE) 2013-03-14 US disclosed
US-20120130072-A1 PROCESS FOR THE PREPARATION OF DIHYDROQUINAZOLINES AICURIS GMBH & CO. KG (DE) 2012-05-24 US disclosed
US-20120130072-A1 PROCESS FOR THE PREPARATION OF DIHYDROQUINAZOLINES AICURIS GMBH & CO. KG (DE) 2012-05-24 US disclosed
EP-1893587-B1 METHOD FOR PRODUCING DIHYDROQUINAZOLINES AICURIS GMBH & CO KG (DE) 2012-01-25 EP disclosed
US-8084604-B2 Process for the preparation of dihydroquinazolines Aicuris GmbH & Co., KG (DE) 2011-12-27 US disclosed
US-8084604-B2 Process for the preparation of dihydroquinazolines Aicuris GmbH & Co., KG (DE) 2011-12-27 US disclosed
US-8084604-B2 Process for the preparation of dihydroquinazolines Aicuris GmbH & Co., KG (DE) 2011-12-27 US disclosed
US-20090221822-A1 Process for the Preparation of Dihydroquinazolines BAYER HEALTHCARE AG (DE) 2009-09-03 US disclosed
US-20090221822-A1 Process for the Preparation of Dihydroquinazolines BAYER HEALTHCARE AG (DE) 2009-09-03 US disclosed
US-20090221822-A1 Process for the Preparation of Dihydroquinazolines BAYER HEALTHCARE AG (DE) 2009-09-03 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 (3 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-20130066073-A1 PROCESS FOR THE PREPARATION OF DIHYDROQUINAZOLINES QDPR, DHPS, DHX15 RAF1 2551/4885MAPK14 1667/4885KDM4E 1466/4885
US-20120130072-A1 PROCESS FOR THE PREPARATION OF DIHYDROQUINAZOLINES QDPR, DHPS, DHX15 RAF1 2551/4885MAPK14 1667/4885KDM4E 1466/4885
US-20090221822-A1 Process for the Preparation of Dihydroquinazolines QDPR, DHPS, DHX15 RAF1 2551/4885MAPK14 1667/4885KDM4E 1466/4885

“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.