SCHEMBL2689283

SCHEMBL2689283

CC(=O)Nc1nc2c(s1)C(=O)COC2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 9/20 0.43
NPC1 O15118 6/20 0.43
RAB9A P51151 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 2/20 0.41
PIK3CG P48736 7/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40

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
SCHEMBL2691082 0.84 ALDH1A1 (0.40) HPGDLMNAGAAMAPTALDH1A1
SCHEMBL172155 0.80 ALDH1A1 (0.63) HPGDLMNAGAAMAPTALDH1A1
SCHEMBL13870400 0.80 ALDH1A1 (0.51) HPGDLMNAGAAMAPTALDH1A1
SCHEMBL2689078 0.77 HPGD (0.48) HPGDLMNAGAAMAPTALDH1A1
SCHEMBL1771243 0.77 ALDH1A1 (0.59) HPGDLMNAGAAMAPTALDH1A1
SCHEMBL4945263 0.75 HPGD (0.46) HPGDLMNAGAAMAPTALDH1A1
SCHEMBL691885 0.75 ALDH1A1 (0.73) HPGDLMNAMAPTALDH1A1NPC1
SCHEMBL693028 0.75 HPGD (0.58) HPGDLMNAGAAMAPTALDH1A1
SCHEMBL2688947 0.72 LMNA (0.40) HPGDLMNAGAAMAPTALDH1A1
SCHEMBL2689737 0.71 ALDH1A1 (0.42) HPGDLMNAGAAMAPTALDH1A1

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 HPGD 1310/4885LMNA 1287/4885GAA 980/4885

“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.