SCHEMBL5685349

SCHEMBL5685349

COc1ccc(C(F)(F)F)cc1OC#N

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NQO2 P16083 1/20 0.40
HTR2A P28223 1/20 0.40
ESRRA P11474 4/20 0.39
AR P10275 2/20 0.39
LRRK2 Q5S007 2/20 0.39
CYP3A4 P08684 1/20 0.38
TEAD1 P28347 1/20 0.38
TEAD4 Q15561 1/20 0.38
TEAD2 Q15562 1/20 0.38

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
SCHEMBL10451549 0.83 MEN1 (0.53) CASP1HSD17B10L3MBTL1RAB9AMEN1
SCHEMBL2379685 0.77 ALDH1A1 (0.56) L3MBTL1RAB9AESRRAAR
SCHEMBL5656320 0.77 AR (0.50) ESRRAAR
SCHEMBL3787060 0.76 SLC6A4 (0.44) L3MBTL1MAPTHTR2A
SCHEMBL531610 0.75 L3MBTL1 (0.45) HSD17B10L3MBTL1RAB9AMEN1ALOX15
Hydrogen Sulfide SCHEMBL28045417 0.74 CFTR (0.57) HSD17B10RAB9AMEN1KMT2AMAPT
SCHEMBL169247 0.74 GAA (0.55) L3MBTL1RAB9AMEN1ALOX15MAPK1
SCHEMBL19465243 0.73 TRPV1 (0.37) HSD17B10MEN1KMT2AHTR2AESRRA
SCHEMBL28407737 0.72 L3MBTL1 (0.45) HSD17B10L3MBTL1RAB9AMEN1ALOX15
SCHEMBL2669936 0.72 L3MBTL1 (0.45) HSD17B10L3MBTL1RAB9AMEN1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-8372972-B2 Process for the preparation of dihydroquinazolines AICURIS GMBH & CO. KG (DE) 2013-02-12 US disclosed
US-20120130072-A1 PROCESS FOR THE PREPARATION OF DIHYDROQUINAZOLINES AICURIS GMBH & CO. KG (DE) 2012-05-24 US disclosed
EP-1625129-A1 HETEROCYCLYL-SUBSTITUTED DIHYDROQUINAZOLINES AND USE THEREOF AS AN ANTIVIRAL AGENT Bayer HealthCare AG (DE) 2006-02-15 EP disclosed
EP-1622880-A1 SUBSTITUTED DIHYDROCHINAZOLINES HAVING ANTIVIRAL PROPERTIES Bayer HealthCare AG (DE) 2006-02-08 EP disclosed
WO-2004099212-A1 HETEROCYCLYL-SUBSTITUTED DIHYDROQUINAZOLINES AND USE THEREOF AS AN ANTIVIRAL AGENT BAYER HEALTHCARE AG (DE) 2004-11-18 WO disclosed
WO-2004096778-A1 SUBSTITUTED DIHYDROCHINAZOLINES HAVING ANTIVIRAL PROPERTIES BAYER HEALTHCARE AG (DE) 2004-11-11 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-20130066073-A1 PROCESS FOR THE PREPARATION OF DIHYDROQUINAZOLINES QDPR, DHPS, DHX15 CASP1 2987/4885HSD17B10 2232/4885L3MBTL1 4877/4885
US-20170114026-A1 Salts of a dihydroquinazoline derivative BAD, VHL, EIF2AK2 CASP1 262/4885HSD17B10 3567/4885L3MBTL1 2656/4885
US-20150038514-A1 SODIUM AND CALCIUM SALTS OF DIHYDROQUINAZOLINE DERIVATIVE AND USE THEREOF AS ANTIVIRAL AGENTS CACNA1I, CACNA1F, CACNA1S CASP1 481/4885HSD17B10 4357/4885L3MBTL1 4340/4885
US-20150133461-A1 PHARMACEUTICAL COMPOSITION CONTAINING AN ANTIVIRALLY ACTIVE DIHYDROQUINAZOLINE DERIVATIVE RPL5, EIF2AK2, RPL35 CASP1 2355/4885HSD17B10 3916/4885L3MBTL1 4476/4885
US-20170362186-A1 Salts of a dihydroquinazoline derivative BAD, CHUK, EIF2AK2 CASP1 479/4885HSD17B10 4026/4885L3MBTL1 2852/4885
US-20120130072-A1 PROCESS FOR THE PREPARATION OF DIHYDROQUINAZOLINES QDPR, DHPS, DHX15 CASP1 2987/4885HSD17B10 2232/4885L3MBTL1 4877/4885
US-20150045371-A1 Salts of a dihydroquinazoline derivative BAD, CHUK, EIF2AK2 CASP1 479/4885HSD17B10 4026/4885L3MBTL1 2852/4885

“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.