SCHEMBL692655

SCHEMBL692655

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
PI4KB Q9UBF8 5/20 0.37
PIK3CG P48736 8/20 0.36
TSHR P16473 1/20 0.36
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4512392 0.93 MAPT (0.40) ALDH1A1NPC1RAB9ATP53POLB
SCHEMBL2143829 0.81 MAPT (0.42) ALDH1A1NPC1RAB9ATP53POLB
SCHEMBL10103036 0.81 MAPT (0.43) ALDH1A1NPC1RAB9ATP53POLB
SCHEMBL1770346 0.79 MAPT (0.42) ALDH1A1NPC1RAB9ATP53POLB
SCHEMBL4046327 0.78 NPC1 (0.39) ALDH1A1NPC1RAB9ATP53POLB
SCHEMBL4042563 0.78 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ATP53POLB
SCHEMBL3948651 0.78 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ATP53POLB
SCHEMBL1770594 0.77 PIK3CG (0.40) ALDH1A1NPC1RAB9ATP53POLB
SCHEMBL11942155 0.77 HPGD (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13853414 0.77 NPC1 (0.43) ALDH1A1NPC1RAB9ATP53POLB

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
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
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 ALDH1A1 147/4885NPC1 686/4885RAB9A 1011/4885

“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.