SCHEMBL2688947

SCHEMBL2688947

CC(=O)Nc1nc2c(s1)C(=O)C(C=O)OC2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
PIK3CG P48736 13/20 0.36
ALDH1A1 P00352 2/20 0.36
PIK3CA P42336 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2689737 0.78 ALDH1A1 (0.42) LMNAGAAMAPTHPGDPIK3CG
SCHEMBL11942157 0.77 MAPT (0.50) LMNAGAAMAPTHPGDPIK3CG
SCHEMBL2690908 0.77 LMNA (0.38) LMNAGAAMAPTHPGDPIK3CG
SCHEMBL2688094 0.75 LMNA (0.41) LMNAGAAMAPTHPGDPIK3CG
SCHEMBL1054660 0.75 MAPT (0.43) LMNAGAAMAPTHPGDPIK3CG
SCHEMBL1770346 0.73 MAPT (0.42) LMNAGAAMAPTHPGDPIK3CG
SCHEMBL2689283 0.72 HPGD (0.47) LMNAGAAMAPTHPGDPIK3CG
SCHEMBL13853414 0.70 NPC1 (0.43) LMNAGAAMAPTHPGDPIK3CG
SCHEMBL2692071 0.70 PIK3CG (0.46) LMNAGAAMAPTHPGDPIK3CG
SCHEMBL2690832 0.69 OGA (0.38) LMNAGAAMAPTHPGDPIK3CG

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 LMNA 1287/4885GAA 980/4885MAPT 1921/4885

“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.