SCHEMBL692071

SCHEMBL692071

CCSC(=O)Nc1nc2c(s1)C(=O)C(C(=O)c1ccc(NCc3ccc(OC)cc3OC)nc1)CCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.37
CYP1A2 P05177 7/20 0.37
CYP3A4 P08684 7/20 0.37
CYP2C19 P33261 7/20 0.37
USP2 O75604 5/20 0.37
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 1/20 0.35
CYP2D6 P10635 6/20 0.35
HSD17B10 Q99714 4/20 0.35
MAPK1 P28482 3/20 0.35
CYP2C9 P11712 2/20 0.35
LMNA P02545 3/20 0.34
CLK4 Q9HAZ1 2/20 0.34
PDE9A O76083 2/20 0.34
ALOX15 P16050 2/20 0.34
MAPT P10636 4/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL12598920 0.91 TSHR (0.40) TSHRCYP1A2CYP3A4CYP2C19USP2
SCHEMBL12598927 0.82 ALDH1A1 (0.35) ALDH1A1HSD17B10MAPK1LMNAMAPT
SCHEMBL692065 0.79 NPC1 (0.36) ALDH1A1HSD17B10MAPK1LMNAMAPT
SCHEMBL691247 0.79 RAB9A (0.38) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2C9
SCHEMBL1770538 0.78 PIK3CG (0.36) CYP3A4ALDH1A1LMNAMAPTPOLB
SCHEMBL12598928 0.77 NOX1 (0.38) CYP1A2CYP3A4CYP2C19ALDH1A1LMNA
SCHEMBL693891 0.76 MAPT (0.37) CYP1A2CYP3A4CYP2C19ALDH1A1LMNA
SCHEMBL1770530 0.75 HCAR3 (0.41) ALDH1A1HSD17B10MAPK1LMNAMAPT
SCHEMBL1770533 0.75 HCAR3 (0.38) TSHRALDH1A1HSD17B10MAPK1LMNA
SCHEMBL693037 0.74 HCAR3 (0.39) ALDH1A1HSD17B10MAPK1LMNAMAPT

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 10 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
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 TSHR 53/4885CYP1A2 91/4885CYP3A4 627/4885

“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.