SCHEMBL2689638

SCHEMBL2689638

CC(=O)Nc1nc2c(s1)C(=O)C(C(=O)c1ccc(F)nc1)C(C)(C)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 3/20 0.37
KDM4E B2RXH2 4/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
PIK3CG P48736 3/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
OGA O60502 1/20 0.36
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 2/20 0.34
THRB P10828 1/20 0.34
PAX8 Q06710 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
SCHEMBL2688430 0.89 CYP3A4 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL2689454 0.82 LMNA (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL4759369 0.80 ALDH1A1 (0.35) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL2690832 0.80 OGA (0.38) HPGDLMNAMAPTGAAPIK3CG
SCHEMBL1770505 0.80 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2691580 0.71 LMNA (0.42) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL1783223 0.70 OGA (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1117899 0.70 PIK3CG (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2690333 0.69 PIK3CG (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1770199 0.69 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1

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 ALDH1A1 51/4885NPC1 414/4885RAB9A 1657/4885

“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.