SCHEMBL692405

SCHEMBL692405

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.34
PI4KB Q9UBF8 2/20 0.34
PI4KA P42356 1/20 0.34
FPR3 P25089 2/20 0.33
FPR2 P25090 2/20 0.33
MAPT P10636 5/20 0.33
TP53 P04637 3/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
GRIN2B Q13224 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
SCHEMBL1770566 0.89 PI4KB (0.35) PI4KBPI4KAMAPTTP53POLB
SCHEMBL12598918 0.88 HCAR3 (0.38) HCAR3MAPTTP53LMNAPOLB
SCHEMBL691139 0.87 MAPT (0.33) HCAR3PI4KBPI4KAMAPTTP53
SCHEMBL1770533 0.85 HCAR3 (0.38) HCAR3MAPTTP53LMNAPOLB
SCHEMBL1770530 0.84 HCAR3 (0.41) HCAR3PI4KBMAPTTP53LMNA
SCHEMBL1770509 0.84 HCAR3 (0.36) HCAR3MAPTTP53LMNAPOLB
SCHEMBL12598916 0.84 HCAR3 (0.38) HCAR3PI4KBMAPTTP53LMNA
SCHEMBL693037 0.82 HCAR3 (0.39) HCAR3MAPTTP53LMNAPOLB
SCHEMBL1770680 0.81 HCAR3 (0.35) HCAR3MAPTTP53LMNAPOLB
SCHEMBL1118503 0.81 PI4KB (0.36) HCAR3PI4KBPI4KAFPR3FPR2

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 8 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-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 HCAR3 3378/4885PI4KB 4844/4885PI4KA 4602/4885

“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.