SCHEMBL1770955

SCHEMBL1770955

CNc1ccc(C(=O)C2CCCc3nc(NC(=O)CCc4ncc[nH]4)sc3C2=O)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.36
PSMD14 O00487 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
LMNA P02545 4/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
PAX8 Q06710 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL1770625 0.84 ALDH1A1 (0.36) LMNAALDH1A1MAPTHTTKDM4E
SCHEMBL1770791 0.83 PARP1 (0.35) LMNAALDH1A1MAPTHTTKDM4E
SCHEMBL1770620 0.82 NPC1 (0.38) LMNAALDH1A1MAPTKDM4ETHRB
SCHEMBL1770199 0.82 ALDH1A1 (0.39) L3MBTL1LMNAALDH1A1MAPTKDM4E
SCHEMBL694720 0.81 NPC1 (0.38) L3MBTL1LMNAALDH1A1MAPTHTT
SCHEMBL12598927 0.79 ALDH1A1 (0.35) L3MBTL1LMNAALDH1A1MAPTKDM4E
SCHEMBL1770680 0.79 HCAR3 (0.35) L3MBTL1LMNAALDH1A1MAPTHTT
SCHEMBL1770798 0.77 HCAR3 (0.33) L3MBTL1ALDH1A1MAPTHTTNPC1
SCHEMBL12598918 0.77 HCAR3 (0.38) LMNAALDH1A1MAPTHTTKDM4E
SCHEMBL1770509 0.77 HCAR3 (0.36) LMNAALDH1A1MAPTHTTKDM4E

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 L3MBTL1 592/4885PSMD14 3835/4885CTDSP1 4071/4885

“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.