SCHEMBL1770495

SCHEMBL1770495

CN(C)C(=O)Nc1nc2c(s1)C(=O)C(C(=O)c1ccc(N(C)C(=O)OC(C)(C)C)nc1)CCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.36
ABL1 P00519 2/20 0.33
TP53 P04637 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
PI4KB Q9UBF8 2/20 0.32
PI4KA P42356 1/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CA P42336 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL12649402 0.94 GPR119 (0.36) GPR119ABL1TP53RAB9ASMN1; SMN2
SCHEMBL12649471 0.93 LMNA (0.35) GPR119ABL1TP53RAB9ASMN1; SMN2
SCHEMBL1770479 0.92 TSHR (0.36) ABL1TP53RAB9ASMN1; SMN2NPC1
SCHEMBL1770632 0.91 GPR119 (0.36) GPR119TP53RAB9ASMN1; SMN2NPC1
SCHEMBL12598912 0.87 RAB9A (0.38) GPR119TP53RAB9ASMN1; SMN2NPC1
SCHEMBL12649472 0.85 LMNA (0.36) GPR119TP53RAB9ASMN1; SMN2NPC1
SCHEMBL12598913 0.84 NPC1 (0.35) GPR119TP53RAB9ASMN1; SMN2NPC1
SCHEMBL12649327 0.83 GPR119 (0.35) GPR119TP53RAB9ASMN1; SMN2NPC1
SCHEMBL12598914 0.80 TSHR (0.41) TP53RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL12598910 0.80 ALDH1A1 (0.39) TP53RAB9ASMN1; SMN2NPC1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288379-B2 Thia-triaza-cyclopentazulenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-16 US disclosed
US-8288379-B2 Thia-triaza-cyclopentazulenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-16 US disclosed
US-20110112087-A1 Thia-triaza-cyclopentazulenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 US disclosed
US-20110112087-A1 Thia-triaza-cyclopentazulenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 US disclosed
WO-2010122071-A1 THIA-TRIAZA-CYCLOPENTAZULENES 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-20110112087-A1 Thia-triaza-cyclopentazulenes CCNA1, MKI67, CCNT1 GPR119 278/4885ABL1 148/4885TP53 1151/4885

“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.