SCHEMBL1770441

SCHEMBL1770441

CC(=O)Nc1nc2c(s1)C(=O)C(C(=O)c1cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn1)CCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
PIK3CG P48736 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PIK3CA P42336 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
OGA O60502 4/20 0.31
AKT1 P31749 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL2144002 0.78 MAPT (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL2144189 0.75 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL1770594 0.73 PIK3CG (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL692655 0.73 ALDH1A1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL1770505 0.72 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL1770712 0.72 PIK3CG (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL1770199 0.72 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL12598910 0.71 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL12598922 0.71 GAA (0.35) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL12598911 0.70 ALDH1A1 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2POLB

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
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
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.