SCHEMBL4949067

SCHEMBL4949067

CCN(C(=O)OC(C)(C)C)c1ccc(C(=O)C2C(=O)c3sc(NC(C)=O)nc3CC2C)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.37
GPR119 Q8TDV5 2/20 0.34
OGA O60502 10/20 0.34
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
PI4KA P42356 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31

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
SCHEMBL4950661 0.90 LMNA (0.38) LMNAMAPTGAAHPGDGPR119
SCHEMBL4759337 0.87 LMNA (0.38) LMNAMAPTGAAHPGDOGA
SCHEMBL2690998 0.86 LMNA (0.34) LMNAMAPTGAAHPGDGPR119
SCHEMBL12649327 0.86 GPR119 (0.35) LMNAMAPTGAAHPGDGPR119
SCHEMBL4759320 0.85 LMNA (0.40) LMNAMAPTGAAHPGDOGA
SCHEMBL2691580 0.80 LMNA (0.42) LMNAMAPTGAAHPGDOGA
SCHEMBL2689454 0.79 LMNA (0.41) LMNAMAPTGAAHPGDOGA
SCHEMBL1770632 0.79 GPR119 (0.36) LMNAMAPTGAAHPGDGPR119
SCHEMBL2689466 0.79 GPR119 (0.35) GPR119
SCHEMBL12649472 0.76 LMNA (0.36) LMNAMAPTGAAHPGDGPR119

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 4 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
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
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 1287/4885MAPT 1921/4885GAA 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.