SCHEMBL691858

SCHEMBL691858

COCCC(=O)Nc1nc2c(s1)-c1c(c(-c3ccc(N)nc3)nn1C(C)C)CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 8/20 0.39
PIK3C2A O00443 2/20 0.39
PIK3C2B O00750 2/20 0.39
STK17A Q9UEE5 2/20 0.39
PIK3CD O00329 1/20 0.39
DYRK3 O43781 1/20 0.39
MAP4K4 O95819 1/20 0.39
CDK9 P50750 1/20 0.39
MAP4K2 Q12851 1/20 0.39
CYP3A4 P08684 5/20 0.38
PIK3CA P42336 3/20 0.38
RPS6KA4 O75676 1/20 0.36
CFTR P13569 5/20 0.35
CYP2D6 P10635 1/20 0.34
LMNA P02545 2/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 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
SCHEMBL12599118 0.90 PI4KB (0.38) PI4KBPIK3C2APIK3C2BSTK17APIK3CD
SCHEMBL692457 0.88 PIK3CA (0.40) PI4KBPIK3C2APIK3C2BSTK17APIK3CD
SCHEMBL691347 0.87 PIK3CA (0.43) PI4KBPIK3C2APIK3C2BSTK17APIK3CD
SCHEMBL4547337 0.87 PDE10A (0.35) PI4KBPIK3C2APIK3C2BSTK17APIK3CD
SCHEMBL692086 0.85 PI4KB (0.39) PI4KBPIK3C2APIK3C2BSTK17APIK3CD
SCHEMBL12649331 0.85 PI4KB (0.40) PI4KBPIK3C2APIK3C2BSTK17APIK3CD
SCHEMBL4550866 0.84 CDK4 (0.31) PI4KBCFTRLMNATHRBALDH1A1
SCHEMBL1770598 0.84 PI4KB (0.37) PI4KBPIK3C2APIK3C2BSTK17APIK3CD
SCHEMBL4550734 0.83 PIK3CA (0.39) PI4KBPIK3C2APIK3C2BSTK17APIK3CD
SCHEMBL1770947 0.81 PIK3CA (0.41) PI4KBPIK3C2APIK3C2BSTK17APIK3CD

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 11 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 claimed
EP-2421871-A1 THIA-TRIAZA-CYCLOPENTAZULENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER Boehringer Ingelheim International GmbH (DE) 2012-02-29 EP claimed
US-20110112087-A1 Thia-triaza-cyclopentazulenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 US claimed
WO-2010122071-A1 THIA-TRIAZA-CYCLOPENTAZULENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 WO claimed
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

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 PI4KB 4844/4885PIK3C2A 3884/4885PIK3C2B 4463/4885

“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.