SCHEMBL2345293

SCHEMBL2345293

NC(=O)CCc1cn2c3c(cccc13)CCC2

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.70
HTR2C P28335 2/20 0.70
MTNR1A P48039 7/20 0.63
MTNR1B P49286 7/20 0.63
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
OPA1 O60313 1/20 0.39
EIF5B O60841 1/20 0.39
MET P08581 1/20 0.39
HMOX2 P30519 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL2260014 0.87 HTR2A (0.65) HTR2AHTR2CMTNR1AMTNR1BMEN1
SCHEMBL6327455 0.83 HTR2A (0.60) HTR2AHTR2CMTNR1AMTNR1BMEN1
SCHEMBL10199629 0.82 HTR2A (1.00) HTR2AHTR2CMTNR1AMTNR1BOPA1
SCHEMBL12312046 0.82 HTR2A (0.59) HTR2AHTR2CMTNR1AMTNR1BMEN1
SCHEMBL9303578 0.80 HTR2A (0.63) HTR2AHTR2CMTNR1AMTNR1BMCL1
SCHEMBL12450045 0.80 HTR2A (0.74) HTR2AHTR2CMTNR1AMTNR1BKMT2A
SCHEMBL15024522 0.79 HTR2A (0.69) HTR2AHTR2CMTNR1AMTNR1BMCL1
SCHEMBL12572732 0.78 HTR2A (0.60) HTR2AHTR2CMTNR1AMTNR1BMCL1
SCHEMBL9079125 0.77 HTR2A (0.89) HTR2AHTR2CMTNR1AMTNR1B
SCHEMBL2348471 0.77 HTR2A (0.52) HTR2AHTR2CMTNR1AMTNR1BMEN1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101801969-B Indolyl pyrrolidines for the treatment of cancer ARQULE, INC. (US) 2014-10-29 CN disclosed
US-8513292-B2 Compositions and methods for the treatment of cancer ARQULE, INC. (US) 2013-08-20 US disclosed
US-8513292-B2 Compositions and methods for the treatment of cancer ARQULE, INC. (US) 2013-08-20 US disclosed
US-8513292-B2 Compositions and methods for the treatment of cancer ARQULE, INC. (US) 2013-08-20 US disclosed
EP-2392574-A1 Indolyl pyrrolidines for the treatment of cancer ArQule, Inc. (US) 2011-12-07 EP disclosed
EP-2392574-A1 Indolyl pyrrolidines for the treatment of cancer ArQule, Inc. (US) 2011-12-07 EP disclosed
EP-2173748-B1 INDOLYL PYRROLIDINES FOR THE TREATMENT OF CANCER ARQULE INC (US) 2011-08-31 EP disclosed
CN-101801969-A The indolyl pyrrolidines of treatment cancer ARQULE INC 2010-08-11 CN disclosed
US-20100183603-A1 Compositions and Methods for the Treatment of Cancer ARQULE, INC. (US) 2010-07-22 US disclosed
US-20100183603-A1 Compositions and Methods for the Treatment of Cancer ARQULE, INC. (US) 2010-07-22 US disclosed
US-20100183603-A1 Compositions and Methods for the Treatment of Cancer ARQULE, INC. (US) 2010-07-22 US disclosed
EP-2173748-A2 INDOLYL PYRROLIDINES FOR THE TREATMENT OF CANCER ArQule, Inc. (US) 2010-04-14 EP disclosed
WO-2009002807-A2 INDOLYL PYRROLIDINES FOR THE TREATMENT OF CANCER ARQULE, INC. (US) 2008-12-31 WO disclosed
WO-2009002807-A2 INDOLYL PYRROLIDINES FOR THE TREATMENT OF CANCER ARQULE, INC. (US) 2008-12-31 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-20100183603-A1 Compositions and Methods for the Treatment of Cancer MKI67, POLI, DHPS HTR2A 3002/4885HTR2C 2060/4885MTNR1A 2155/4885

“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.