SCHEMBL691699

SCHEMBL691699

COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C(=O)C3=C(O)c4sc(NC(C)=O)nc4CCC3)cn2)c(OC)c1.FB(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 9/20 0.34
MAPT P10636 4/20 0.33
GAA P10253 3/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
PIK3CG P48736 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
DYRK1A Q13627 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 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
SCHEMBL1770081 0.86 PI4KA (0.32) CFTRALDH1A1SMN1; SMN2POLBNPC1
SCHEMBL1770304 0.83 MAPT (0.37) CFTRMAPTGAALMNAHPGD
SCHEMBL1770958 0.83 ABL1 (0.34) CFTRMAPTGAALMNAHPGD
SCHEMBL27852003 0.78 MAPT (0.34) CFTRMAPTGAALMNAHPGD
SCHEMBL2671947 0.76 PI4KB (0.36) MAPTGAALMNAHPGDALDH1A1
SCHEMBL692451 0.74 NPC1 (0.37) CFTRMAPTGAALMNAHPGD
SCHEMBL693891 0.74 MAPT (0.37) MAPTGAALMNAHPGDALDH1A1
SCHEMBL692935 0.72 GAA (0.43) GAALMNAALDH1A1KDM4EPOLB
SCHEMBL691255 0.72 ALDH1A1 (0.39) CFTRMAPTGAALMNAHPGD
SCHEMBL692452 0.72 GAA (0.43) MAPTGAALMNAALDH1A1KDM4E

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 5 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
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
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 CFTR 253/4885MAPT 1901/4885GAA 909/4885

“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.