SCHEMBL7906171

SCHEMBL7906171

CN(C)CCNc1ccccc1S

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.47
CYP2C19 P33261 1/20 0.47
NCF1 P14598 2/20 0.46
SLC2A1 P11166 1/20 0.44
BRD4 O60885 1/20 0.42
ATAD2 Q6PL18 1/20 0.42
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
ALPG P10696 1/20 0.41
SLC40A1 Q9NP59 1/20 0.40
ALDH1A1 P00352 2/20 0.40
EHMT2 Q96KQ7 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
RAD52 P43351 1/20 0.40
KMT2A Q03164 1/20 0.40
TOP2A P11388 1/20 0.40
ACP1 P24666 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL13236099 0.80 ALDH1A1 (0.35) MALT1CYP2C19NCF1SLC2A1BRD4
SCHEMBL8954890 0.79 MAPT (0.41) MAPTHTTGAAALDH1A1KDM4E
SCHEMBL10803538 0.78 MAPT (0.69) MALT1CYP2C19NCF1SLC2A1BRD4
SCHEMBL4974718 0.78 IDO1 (0.47) SLC2A1MAPTHTTGAA
SCHEMBL24711106 0.77 CYP2C19 (0.47) MALT1CYP2C19NCF1SLC2A1BRD4
SCHEMBL30457115 0.77 NCF1 (0.53) MALT1CYP2C19NCF1SLC2A1BRD4
SCHEMBL15956333 0.77 CYP2C19 (0.47) MALT1CYP2C19NCF1SLC2A1BRD4
SCHEMBL28211899 0.77 CYP2C19 (0.51) MALT1CYP2C19NCF1SLC2A1BRD4
SCHEMBL4131272 0.77 TAAR1 (0.48) MALT1CYP2C19NCF1SLC2A1BRD4
SCHEMBL974274 0.77 NCF1 (0.53) MALT1CYP2C19NCF1SLC2A1BRD4

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0343714-B1 Phenylglycidate stereoisomers, conversion products thereof with e.g. 2-nitrothiophenol and preparation of diltiazem DSM NV (NL) 1994-11-02 EP claimed
EP-0343714-A1 Phenylglycidate stereoisomers, conversion products thereof with e.g. 2-nitrothiophenol and preparation of diltiazem DSM N.V. (NL) 1989-11-29 EP claimed
JP-60116677-A None JP disclosed
JP-60146884-A None JP disclosed
JP-58194872-A None JP disclosed
JP-61165363-A None JP disclosed
JP-61165378-A None JP disclosed
US-9388189-B2 Pyrrolotriazinone derivatives as PI3K inhibitors ALMIRALL, S.A. (ES) 2016-07-12 US disclosed
US-20150291595-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2015-10-15 US disclosed
EP-2909207-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS Almirall S.A. (ES) 2015-08-26 EP disclosed
CN-104854108-A Pyrrolotriazinone derivatives as pi3k inhibitors ALMIRALL SA 2015-08-19 CN disclosed
EP-0343714-B1 Phenylglycidate stereoisomers, conversion products thereof with e.g. 2-nitrothiophenol and preparation of diltiazem DSM NV (NL) 1994-11-02 EP disclosed
EP-0343714-A1 Phenylglycidate stereoisomers, conversion products thereof with e.g. 2-nitrothiophenol and preparation of diltiazem DSM N.V. (NL) 1989-11-29 EP disclosed
US-4654335-A CARDIOVASCULAR AGENTS E. R. SQUIBB & SONS, INC. (US) 1987-03-31 US disclosed
EP-0208964-A2 1,5-Benzothiazepine compounds E.R. Squibb & Sons, Inc. (US) 1987-01-21 EP disclosed
JP-S61165378-A PRODUCTION OF BENZOTHIAZEPINE DERIVATIVE FUJITA HARUSHIGE 1986-07-26 JP disclosed
JP-S61165363-A CINNAMIC ACID AMIDE DERIVATIVE AND PRODUCTION THEREOF FUJITA HARUSHIGE 1986-07-26 JP disclosed
JP-S60146884-A PRODUCTION OF 1,5-BENZOTHIAZEPINE DERIVATIVE NIPPON CHEM:KK 1985-08-02 JP disclosed
JP-S60116677-A PRODUCTION OF BENZOTHIAZEPINE DERIVATIVE FUJITA HARUSHIGE 1985-06-24 JP disclosed
JP-S58194872-A PREPARATION OF BENZOTHIAZEPINE DERIVATIVE TOKAWA TETSUO 1983-11-12 JP 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-20150291595-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS PIK3CB, PIK3CD, PIK3CA MALT1 1020/4885CYP2C19 802/4885NCF1 1230/4885

“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.