SCHEMBL1770712

SCHEMBL1770712

CC(=O)Nc1nc2c(s1)C(=O)C(C(=O)c1cncn1C)CCC2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 12/20 0.37
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PI4KB Q9UBF8 4/20 0.34
PIK3CD O00329 3/20 0.32
PIK3CA P42336 3/20 0.32
PIK3CB P42338 3/20 0.32
PIK3R1 P27986 2/20 0.32
CLK4 Q9HAZ1 1/20 0.31
STK17A Q9UEE5 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
SCHEMBL1770594 0.77 PIK3CG (0.40) PIK3CGLMNAGAAMAPTHPGD
SCHEMBL692655 0.77 ALDH1A1 (0.41) PIK3CGLMNAGAAMAPTHPGD
SCHEMBL1770505 0.77 ALDH1A1 (0.39) PIK3CGLMNAGAAMAPTHPGD
SCHEMBL3273615 0.76 LMNA (0.39) PIK3CGLMNAGAAMAPTHPGD
SCHEMBL1770199 0.76 ALDH1A1 (0.39) PIK3CGLMNAGAAMAPTHPGD
SCHEMBL12598910 0.75 ALDH1A1 (0.39) PIK3CGLMNAGAAMAPTHPGD
SCHEMBL12598911 0.74 ALDH1A1 (0.36) PIK3CGLMNAGAAMAPTHPGD
SCHEMBL2144002 0.74 MAPT (0.38) PIK3CGLMNAGAAMAPTHPGD
SCHEMBL1770530 0.74 HCAR3 (0.41) PIK3CGLMNAGAAMAPTHPGD
SCHEMBL798617 0.73 PIK3CG (0.49) PIK3CGLMNAGAAMAPTHPGD

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
EP-2421871-B1 THIA-TRIAZA-CYCLOPENTAZULENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2015-09-16 EP disclosed
EP-2421871-B1 THIA-TRIAZA-CYCLOPENTAZULENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2015-09-16 EP disclosed
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-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
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 PIK3CG 4763/4885LMNA 3302/4885GAA 909/4885

“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.