SCHEMBL3336306

SCHEMBL3336306

C1=NCN(c2nccs2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.39
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
G6PD P11413 1/20 0.35
PKM P14618 1/20 0.35
MPI P34949 1/20 0.35
EP300 Q09472 1/20 0.35
KAT2A Q92830 1/20 0.35
KAT2B Q92831 1/20 0.35
SLC11A2 P49281 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 2/20 0.34
GLA P06280 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
HSD17B10 Q99714 3/20 0.33
POLB P06746 2/20 0.33
APEX1 P27695 1/20 0.33

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
SCHEMBL886893 0.72 SIGMAR1 (0.36) KDM4ETDP1GAAMAPTLMNA
SCHEMBL30843927 0.72 SIGMAR1 (0.36) KDM4ETDP1GAAMAPTLMNA
SCHEMBL9413989 0.69 SCN9A (0.38) SCN9AALDH1A1KDM4ETDP1GAA
SCHEMBL8407964 0.69 SMN1; SMN2 (0.56) SCN9AALDH1A1MAPTLMNAHSD17B10
SCHEMBL31441279 0.68 CYP11B2 (0.42) SCN9AMAPTL3MBTL1
SCHEMBL1666017 0.65
SCHEMBL14206747 0.65 ADRA2C (0.56) ALDH1A1GAAHSD17B10SLC6A7NPC1
SCHEMBL3689993 0.65 P2RX7 (0.33) ALDH1A1
SCHEMBL7041384 0.64 P2RX4 (0.35) SCN9ALMNA
SCHEMBL2263869 0.64 KDM4E (0.32) SCN9AALDH1A1KDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5303450-B2 2013-10-02 JP disclosed
CN-103172589-A Thiazolyl-dihydroquinazolines BOEHRINGER INGELHEIM INT 2013-06-26 CN disclosed
CN-103172589-A Thiazolyl-dihydroquinazolines BOEHRINGER INGELHEIM INT 2013-06-26 CN disclosed
CN-103172589-A Thiazolyl-dihydroquinazolines BOEHRINGER INGELHEIM INT 2013-06-26 CN disclosed
EP-2018385-B1 THIAZOLYL-DIHYDROQUINAZOLINES BOEHRINGER INGELHEIM INT (DE) 2013-05-15 EP disclosed
CN-101460505-B Thiazolyl-dihydro-quinazolines BOEHRINGER INGELHEIM INT 2013-03-20 CN disclosed
CN-101460505-B Thiazolyl-dihydro-quinazolines BOEHRINGER INGELHEIM INT 2013-03-20 CN disclosed
CN-101460505-B Thiazolyl-dihydro-quinazolines BOEHRINGER INGELHEIM INT 2013-03-20 CN disclosed
US-8354418-B2 Thiazolyl-dihydro-quinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-8354418-B2 Thiazolyl-dihydro-quinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
EP-2018385-A1 THIAZOLYL-DIHYDROQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-28 EP disclosed
EP-2007772-A1 THIAZOLYL-DIHYDROQUINAZOLINES Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
WO-2007115929-A8 THIAZOLYL-DIHYDROQUINAZOLINES BOEHRINGER INGELHEIM INT (DE) 2008-06-19 WO disclosed
WO-2007115929-A1 THIAZOLYL-DIHYDROQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
WO-2007115929-A1 THIAZOLYL-DIHYDROQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
WO-2007115932-A1 THIAZOLYL-DIHYDROQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
US-20070244104-A1 THIAZOLYL-DIHYDRO-QUINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 US disclosed
US-20070244104-A1 THIAZOLYL-DIHYDRO-QUINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 US disclosed
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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 (2 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-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 SCN9A 2178/4885ALDH1A1 165/4885KDM4E 4490/4885
US-20070244104-A1 THIAZOLYL-DIHYDRO-QUINAZOLINE QDPR, NQO2, CYP3A4 SCN9A 1697/4885ALDH1A1 726/4885KDM4E 3256/4885

“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.