SCHEMBL2690832

SCHEMBL2690832

CC(=O)Nc1nc2c(s1)C(=O)C(C(=O)c1ccc(F)nc1)OC2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.38
PIK3CG P48736 14/20 0.37
PIK3CA P42336 5/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
DYRK1A Q13627 2/20 0.33
PDPK1 O15530 1/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 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
SCHEMBL4759715 0.87 PIK3CG (0.39) OGAPIK3CGPIK3CALMNAGAA
SCHEMBL2688914 0.87 PIK3CG (0.46) OGAPIK3CGPIK3CALMNAGAA
SCHEMBL4759713 0.83 PIK3CG (0.35) OGAPIK3CGPIK3CALMNAGAA
SCHEMBL2692071 0.83 PIK3CG (0.46) PIK3CGPIK3CALMNAGAAMAPT
SCHEMBL2689454 0.80 LMNA (0.41) OGAPIK3CGPIK3CALMNAGAA
SCHEMBL1770505 0.80 ALDH1A1 (0.39) OGAPIK3CGPIK3CALMNAGAA
SCHEMBL2690337 0.80 LMNA (0.35) OGAPIK3CGPIK3CALMNAGAA
SCHEMBL2689638 0.80 ALDH1A1 (0.39) OGAPIK3CGPIK3CALMNAGAA
SCHEMBL2691004 0.79 LMNA (0.35) OGAPIK3CGPIK3CALMNAGAA
SCHEMBL2690998 0.78 LMNA (0.34) OGAPIK3CGPIK3CALMNAGAA

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 9 patents. 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
US-9243000-B2 Thia-triaza-indacenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-26 US 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-20120108618-A1 THIA-TRIAZA-INDACENES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20120108618-A1 THIA-TRIAZA-INDACENES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20120108618-A1 THIA-TRIAZA-INDACENES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US 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

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-20120108618-A1 THIA-TRIAZA-INDACENES CCNA1, MKI67, CCNT1 OGA 2113/4885PIK3CG 4396/4885PIK3CA 2938/4885

“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.