SCHEMBL1770546

SCHEMBL1770546

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(C(=O)Cl)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
HCAR3 P49019 2/20 0.36
SYK P43405 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 2/20 0.34
ELANE P08246 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
PDPK1 O15530 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP30 Q70CQ3 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
TET2 Q6N021 1/20 0.31
OGFOD1 Q8N543 1/20 0.31
TET1 Q8NFU7 1/20 0.31
EGLN2 Q96KS0 1/20 0.31

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
SCHEMBL692389 0.87 HCAR3 (0.38) GAAHCAR3GPR119POLBPKM
SCHEMBL1770925 0.87 HCAR3 (0.50) HCAR3MAPK1NAPRTL3MBTL1KDM4E
SCHEMBL6882614 0.85 MAPK1 (0.51) GAASYKMAPK1L3MBTL1KDM4E
SCHEMBL692658 0.83 HCAR3 (0.39) GAAHCAR3SYKGPR119POLB
SCHEMBL27105880 0.83 NNMT (0.35) HCAR3SYKGPR119POLBMAPK1
SCHEMBL465766 0.82 SYK (0.47) GAAHCAR3SYKPOLBPKM
Hydrochloric Acid SCHEMBL30391858 0.82 PRMT1 (0.36) HCAR3SYKGPR119AAK1
SCHEMBL16753451 0.81 MLYCD (0.41) HCAR3SYKGPR119MAPK1ELANE
SCHEMBL2031522 0.80 SYK (0.38) SYKGPR119PKMPDPK1L3MBTL1
SCHEMBL2654838 0.79 RAB9A (0.47) SYKPDPK1SMN1; SMN2KDM4EUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9243000-B2 Thia-triaza-indacenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-26 US disclosed
US-9243000-B2 Thia-triaza-indacenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-26 US disclosed
EP-2421871-B1 THIA-TRIAZA-CYCLOPENTAZULENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2015-09-16 EP disclosed
EP-2350084-B1 TETRA-AZA-HETEROCYCLES AS PHOSPHATIDYLINOSITOL-3-KINASES (PI3-KINASES) INHIBITOR BOEHRINGER INGELHEIM INT (DE) 2015-06-24 EP disclosed
EP-2350084-B1 TETRA-AZA-HETEROCYCLES AS PHOSPHATIDYLINOSITOL-3-KINASES (PI3-KINASES) INHIBITOR BOEHRINGER INGELHEIM INT (DE) 2015-06-24 EP disclosed
EP-2421872-B1 THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2015-06-10 EP disclosed
EP-2421872-B1 THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2015-06-10 EP disclosed
US-8653097-B2 Tetra-aza-heterocycles as phosphatidylinositol-3-kinases (P13-kinases) inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-8653097-B2 Tetra-aza-heterocycles as phosphatidylinositol-3-kinases (P13-kinases) inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-20110312940-A1 TETRA-AZA-HETEROCYCLES AS PHOSPHATIDYLINOSITOL-3-KINASES (P13-KINASES) INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110312940-A1 TETRA-AZA-HETEROCYCLES AS PHOSPHATIDYLINOSITOL-3-KINASES (P13-KINASES) INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-20110112087-A1 Thia-triaza-cyclopentazulenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 US disclosed
US-20110112087-A1 Thia-triaza-cyclopentazulenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 US disclosed
WO-2010122071-A1 THIA-TRIAZA-CYCLOPENTAZULENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 WO disclosed
WO-2010122091-A1 THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 WO disclosed
WO-2010043676-A1 TETRA-AZA-HETEROCYCLES AS PHOSPHATIDYLINOSITOL-3-KINASES (PI3-KINASES) INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 WO disclosed
WO-2009112565-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-17 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 (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-20110312940-A1 TETRA-AZA-HETEROCYCLES AS PHOSPHATIDYLINOSITOL-3-KINASES (P13-KINASES) INHIBITOR CCNK, CDK1, CDKN1A GAA 1169/4885HCAR3 2651/4885SYK 601/4885
US-20110112087-A1 Thia-triaza-cyclopentazulenes CCNA1, MKI67, CCNT1 GAA 909/4885HCAR3 3378/4885SYK 1753/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R GAA 1013/4885HCAR3 2774/4885SYK 1542/4885

“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.