SCHEMBL691139

SCHEMBL691139

CCNc1ccc(C(=O)C2CCCc3nc(NC(=O)CN(C)C(=O)OC(C)(C)C)sc3C2=O)cn1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.33
BUB1 O43683 1/20 0.33
HCAR3 P49019 1/20 0.33
TP53 P04637 4/20 0.32
POLB P06746 3/20 0.32
AAK1 Q2M2I8 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PI4KA P42356 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
LMNA P02545 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL12598916 0.89 HCAR3 (0.38) MAPTHCAR3TP53POLBPI4KB
SCHEMBL692405 0.87 HCAR3 (0.34) MAPTHCAR3TP53POLBRXFP1
SCHEMBL1770533 0.84 HCAR3 (0.38) MAPTHCAR3TP53POLBLMNA
SCHEMBL12598918 0.83 HCAR3 (0.38) MAPTHCAR3TP53POLBLMNA
SCHEMBL1770530 0.83 HCAR3 (0.41) MAPTHCAR3TP53POLBPI4KB
SCHEMBL1770680 0.83 HCAR3 (0.35) MAPTHCAR3TP53POLBLMNA
SCHEMBL1770509 0.83 HCAR3 (0.36) MAPTHCAR3TP53POLBLMNA
SCHEMBL1118480 0.81 HCAR3 (0.34) MAPTBUB1HCAR3TP53POLB
SCHEMBL693037 0.81 HCAR3 (0.39) MAPTHCAR3TP53POLBLMNA
SCHEMBL1770798 0.78 HCAR3 (0.33) MAPTHCAR3TP53POLBNPC1

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
US-8716314-B2 Isotopologues of thalidomide CELGENE CORPORATION (US) 2014-05-06 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
EP-2421871-A1 THIA-TRIAZA-CYCLOPENTAZULENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER Boehringer Ingelheim International GmbH (DE) 2012-02-29 EP 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
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 MAPT 1901/4885BUB1 1858/4885HCAR3 3378/4885

“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.