Sugi Predict

Sugi Predict / Compounds / SCHEMBL2260100

SCHEMBL2260100

SCHEMBL2260100

O=CC(=O)Nc1cn2c3c(cccc13)CCC2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 7/20 0.49
▸ MTNR1B P49286 7/20 0.49
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ OPA1 O60313 1/20 0.41
▸ EIF5B O60841 1/20 0.41
▸ MET P08581 1/20 0.41
▸ HMOX2 P30519 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ EGFR P00533 2/20 0.40
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 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
SCHEMBL8081390 0.84 MTNR1A (0.59) MTNR1AMTNR1BHTR2AHTR2COPA1
SCHEMBL13067746 0.77 HTR2A (0.49) MTNR1AMTNR1BHTR2AHTR2COPA1
SCHEMBL13087729 0.77 MTNR1A (0.50) MTNR1AMTNR1BHTR2AHTR2COPA1
SCHEMBL10234835 0.74 HTR2A (0.54) MTNR1AMTNR1BHTR2AHTR2COPA1
SCHEMBL1395799 0.72 HTR2A (0.52) MTNR1AMTNR1BHTR2AHTR2COPA1
SCHEMBL3065255 0.72 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL3060070 0.72 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL27977245 0.71 HTR2A (0.51) MTNR1AMTNR1BHTR2AHTR2COPA1
SCHEMBL2023775 0.71 HTR2A (0.51) MTNR1AMTNR1BHTR2AHTR2COPA1
SCHEMBL2020434 0.71 MTNR1A (0.59) MTNR1AMTNR1BHTR2AHTR2COPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000005-B2 Highly pure pyrroloquinolinyl-pyrrole-2,5-dione and pyrroloquinolinyl-pyrrolidine-2,5-dione and methods of preparing same ARQULE, INC. (US) 2015-04-07 — — US disclosed
EP-2841069-A1 HIGHLY PURE PYRROLOQUINOLINYL-PYRROLE-2,5-DIONE AND PYRROLOQUINOLINYL-PYRROLIDINE-2,5-DIONE AND METHODS OF PREPARING SAME ARQULE, INC. (US) 2015-03-04 — — EP disclosed
WO-2013162714-A1 HIGHLY PURE PYRROLOQUINOLINYL-PYRROLE-2,5-DIONE AND PYRROLOQUINOLINYL-PYRROLIDINE-2,5-DIONE AND METHODS OF PREPARING SAME ARQULE, INC. (US) 2013-10-31 — — WO disclosed
US-20130281699-A1 Highly Pure Pyrroloquinolinyl-Pyrrole-2,5-Dione and Pyrroloquinolinyl-Pyrrolidine-2,5-Dione and Methods of Preparing Same ARQULE, INC. (US) 2013-10-24 — — US disclosed
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-12-01 — — US disclosed
US-8058425-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-11-15 — — US disclosed
US-8022065-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-09-20 — — US disclosed
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-08-25 — — US disclosed
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY 2009-04-23 — — US disclosed
US-7491716-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2009-02-17 — — US disclosed
EP-1483265-B1 PURINE DERIVATIVES AS KINASE INHIBITORS LILLY CO ELI (US) 2006-11-22 — — EP disclosed
US-20050090483-A1 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY 2005-04-28 — — US disclosed
US-6867198-B2 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY (US) 2005-03-15 — — US disclosed
US-6743785-B2 KINASE INHIBITORS; ANNULATED PYRROLE AND INDOLE RINGS; PYRROLO (3,2,1-HI)INDOLES; 3-(5,5-DIMETHYL-5,6-DIHYDRO-4H-PYRROLO (3,2,1-IJ)QUINOLIN-1-YL)-4-(1,2,3,4-TETRAHYDRO-(1,4) DIAZEPINO(6,7,1-HI)INDOL-7-YL)-PYRROLE-2,5-DIONE ELI LILLY AND COMPANY 2004-06-01 — — US disclosed
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-12-11 — — US disclosed
US-20030092676-A1 Agents and method for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-05-15 — — US 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 (7 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-20030092676-A1 Agents and method for the treatment of proliferative diseases MKI67, CDKN1A, CDK4 MTNR1A 1002/4885MTNR1B 1120/4885HTR2A 4207/4885
US-20050090483-A1 Purine derivatives as kinase inhibitors PNP, ADK, NME2 MTNR1A 2946/4885MTNR1B 2533/4885HTR2A 2846/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 MTNR1A 2946/4885MTNR1B 2533/4885HTR2A 2846/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 MTNR1A 2946/4885MTNR1B 2533/4885HTR2A 2846/4885
US-20130281699-A1 Highly Pure Pyrroloquinolinyl-Pyrrole-2,5-Dione and Pyrroloquinolinyl-Pyrrolidine-2,5-Dione and Methods of Preparing Same DHPS, QDPR, IDO1 MTNR1A 1260/4885MTNR1B 1063/4885HTR2A 421/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 MTNR1A 2946/4885MTNR1B 2533/4885HTR2A 2846/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 MTNR1A 904/4885MTNR1B 1009/4885HTR2A 4336/4885

“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.