SCHEMBL16428166

SCHEMBL16428166

COc1ccc(C(F)(F)F)cc1NC(=O)Nc1c(F)cccc1/C=C(/C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 10/20 0.46
POLB P06746 1/20 0.43
MAPK14 Q16539 1/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BRAF P15056 1/20 0.42
HTT P42858 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDR P35968 1/20 0.40

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
SCHEMBL379265 1.00 RAF1 (0.46) RAF1POLBMAPK14KDM4EHPGD
SCHEMBL379266 1.00 RAF1 (0.46) RAF1POLBMAPK14KDM4EHPGD
SCHEMBL4534203 0.85 RAF1 (0.47) RAF1POLBMAPK14KDM4EHPGD
SCHEMBL4534200 0.85 RAF1 (0.47) RAF1POLBMAPK14KDM4EHPGD
SCHEMBL27145420 0.85 RAF1 (0.47) RAF1POLBMAPK14KDM4EHPGD
SCHEMBL15229756 0.83 RAF1 (0.47) RAF1POLBMAPK14KDM4EHPGD
SCHEMBL28799154 0.83 RAF1 (0.47) RAF1POLBMAPK14KDM4EHPGD
SCHEMBL379165 0.83 RAF1 (0.47) RAF1POLBMAPK14KDM4EHPGD
SCHEMBL30667504 0.83 RAF1 (0.47) RAF1POLBMAPK14KDM4EHPGD
SCHEMBL31686438 0.83 RAF1 (0.51) RAF1POLBMAPK14KDM4EHPGD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49897-E1 Salts of a dihydroquinazoline derivative AIC246 AG & CO. KG (DE) 2024-04-02 US disclosed
US-10603384-B2 Pharmaceutical composition containing an antivirally active dihydroquinazoline derivative AICURIS GMBH & CO. KG (DE) 2020-03-31 US disclosed
EP-3556350-A1 PHARMACEUTICAL PREPARATION COMPRISING AN ANTIVIRAL DIHYDROQUINAZOLINE DERIVATIVE WITH S CONFIGURATION IN POSITION 4 AiCuris Anti-infective Cures GmbH (DE) 2019-10-23 EP disclosed
US-10287254-B2 Salts of a dihydroquinazoline derivative AICURIS GMBH & CO. KG (DE) 2019-05-14 US disclosed
US-20170362186-A1 Salts of a dihydroquinazoline derivative AICURIS GMBH & CO. KG (DE) 2017-12-21 US disclosed
US-9637459-B2 Sodium and calcium salts of dihydroquinazoline derivative and use thereof as antiviral agents AICURIS GMBH & CO KG. (DE) 2017-05-02 US disclosed
US-20170114026-A1 Salts of a dihydroquinazoline derivative AICURIS GMBH & CO. KG (DE) 2017-04-27 US disclosed
US-9512085-B2 Salts of a dihydroquinazoline derivative AICURIS GMBH & CO. KG (DE) 2016-12-06 US disclosed
US-20150133461-A1 PHARMACEUTICAL COMPOSITION CONTAINING AN ANTIVIRALLY ACTIVE DIHYDROQUINAZOLINE DERIVATIVE AICURIS GMBH & CO. KG (DE) 2015-05-14 US disclosed
US-20150045371-A1 Salts of a dihydroquinazoline derivative AICURIS GMBH & CO. KG (DE) 2015-02-12 US disclosed
US-20150038514-A1 SODIUM AND CALCIUM SALTS OF DIHYDROQUINAZOLINE DERIVATIVE AND USE THEREOF AS ANTIVIRAL AGENTS AIC246 AG & CO. KG (DE) 2015-02-05 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 (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-20170114026-A1 Salts of a dihydroquinazoline derivative BAD, VHL, EIF2AK2 RAF1 1621/4885POLB 1596/4885MAPK14 1613/4885
US-20150038514-A1 SODIUM AND CALCIUM SALTS OF DIHYDROQUINAZOLINE DERIVATIVE AND USE THEREOF AS ANTIVIRAL AGENTS CACNA1I, CACNA1F, CACNA1S RAF1 3133/4885POLB 3430/4885MAPK14 598/4885
US-20150133461-A1 PHARMACEUTICAL COMPOSITION CONTAINING AN ANTIVIRALLY ACTIVE DIHYDROQUINAZOLINE DERIVATIVE RPL5, EIF2AK2, RPL35 RAF1 3984/4885POLB 2249/4885MAPK14 2886/4885
US-10287254-B2 Salts of a dihydroquinazoline derivative BAD, IRF3, VHL RAF1 1783/4885POLB 1608/4885MAPK14 1177/4885
US-20170362186-A1 Salts of a dihydroquinazoline derivative BAD, CHUK, EIF2AK2 RAF1 2739/4885POLB 1593/4885MAPK14 1476/4885
US-20150045371-A1 Salts of a dihydroquinazoline derivative BAD, CHUK, EIF2AK2 RAF1 2739/4885POLB 1593/4885MAPK14 1476/4885
US-10603384-B2 Pharmaceutical composition containing an antivirally active dihydroquinazoline derivative RPL5, EIF2AK2, RPL35 RAF1 3984/4885POLB 2249/4885MAPK14 2886/4885

“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.