SCHEMBL1770632

SCHEMBL1770632

CCN(C(=O)OC(C)(C)C)c1ccc(C(=O)C2CCCc3nc(NC(=O)N(C)C)sc3C2=O)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.36
PI4KA P42356 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TP53 P04637 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.31
PIK3CA P42336 2/20 0.31
PIK3CB P42338 2/20 0.31
PIK3CG P48736 2/20 0.31
PIK3CD O00329 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL12649327 0.92 GPR119 (0.35) GPR119PI4KAPI4KBLMNAMAPT
SCHEMBL12649402 0.91 GPR119 (0.36) GPR119PI4KAPI4KBLMNAMAPT
SCHEMBL1770495 0.91 GPR119 (0.36) GPR119PI4KAPI4KBLMNAMAPT
SCHEMBL12598913 0.87 NPC1 (0.35) GPR119LMNAMAPTNPC1ALDH1A1
SCHEMBL2689466 0.85 GPR119 (0.35) GPR119
SCHEMBL12598912 0.85 RAB9A (0.38) GPR119LMNAMAPTNPC1ALDH1A1
SCHEMBL12649471 0.84 LMNA (0.35) GPR119PI4KAPI4KBLMNAMAPT
SCHEMBL1770479 0.83 TSHR (0.36) PI4KAPI4KBLMNAMAPTNPC1
SCHEMBL12649472 0.83 LMNA (0.36) GPR119PI4KAPI4KBLMNAMAPT
SCHEMBL12598911 0.79 ALDH1A1 (0.36) PI4KBLMNAMAPTNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2421871-B1 THIA-TRIAZA-CYCLOPENTAZULENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2015-09-16 EP disclosed
US-8288379-B2 Thia-triaza-cyclopentazulenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-16 US disclosed
US-8288379-B2 Thia-triaza-cyclopentazulenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-16 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110112087-A1 Thia-triaza-cyclopentazulenes CCNA1, MKI67, CCNT1 GPR119 278/4885PI4KA 4602/4885PI4KB 4844/4885

“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.