SCHEMBL1982155

SCHEMBL1982155

CC(C)n1c(NC(=O)c2ccc3nc4n(c3c2)C(C)(C)CCNC4=O)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 9/20 1.00
RPS6KA2 Q15349 11/20 0.78
IRAK4 Q9NWZ3 1/20 0.51

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
SCHEMBL14904404 0.88 RPS6KA2 (1.00) RPS6KA3RPS6KA2
SCHEMBL1986099 0.83 RPS6KA3 (1.00) RPS6KA3RPS6KA2
SCHEMBL2008335 0.80 RPS6KA3 (0.66) RPS6KA3RPS6KA2
SCHEMBL14972971 0.79 RPS6KA3 (1.00) RPS6KA3RPS6KA2
SCHEMBL12598720 0.79 RPS6KA2 (0.84) RPS6KA3RPS6KA2
SCHEMBL14981789 0.78 RPS6KA3 (0.61) RPS6KA3RPS6KA2
SCHEMBL12598699 0.76 RPS6KA2 (0.90) RPS6KA3RPS6KA2
SCHEMBL12598716 0.75 RPS6KA2 (1.00) RPS6KA3RPS6KA2
SCHEMBL1982577 0.75 RPS6KA3 (0.59) RPS6KA3RPS6KA2
SCHEMBL1977787 0.74 RPS6KA2 (1.00) RPS6KA3RPS6KA2

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
EP-2509979-B1 HETEROCYCLIC COMPOUNDS CONTAINING A PYRROLOPYRIDINE OR BENZIMIDAZOLE CORE BOEHRINGER INGELHEIM INT (DE) 2016-05-25 EP claimed
US-9073926-B2 Heterocyclic compounds containing a pyrrolopyridine or benzimidazole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US claimed
US-20130137680-A1 HETEROCYCLIC COMPOUNDS CONTAINING A PYRROLOPYRIDINE OR BENZIMIDAZOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-30 US claimed
EP-2509979-A1 HETEROCYCLIC COMPOUNDS CONTAINING A PYRROLOPYRIDINE OR BENZIMIDAZOLE CORE Boehringer Ingelheim International GmbH (DE) 2012-10-17 EP claimed
WO-2011071725-A1 HETEROCYCLIC COMPOUNDS CONTAINING A PYRROLOPYRIDINE OR BENZIMIDAZOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 WO claimed
EP-2509979-B1 HETEROCYCLIC COMPOUNDS CONTAINING A PYRROLOPYRIDINE OR BENZIMIDAZOLE CORE BOEHRINGER INGELHEIM INT (DE) 2016-05-25 EP disclosed
EP-2509979-B1 HETEROCYCLIC COMPOUNDS CONTAINING A PYRROLOPYRIDINE OR BENZIMIDAZOLE CORE BOEHRINGER INGELHEIM INT (DE) 2016-05-25 EP disclosed
US-9073926-B2 Heterocyclic compounds containing a pyrrolopyridine or benzimidazole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-9073926-B2 Heterocyclic compounds containing a pyrrolopyridine or benzimidazole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-9073926-B2 Heterocyclic compounds containing a pyrrolopyridine or benzimidazole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-20130137680-A1 HETEROCYCLIC COMPOUNDS CONTAINING A PYRROLOPYRIDINE OR BENZIMIDAZOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-30 US disclosed
US-20130137680-A1 HETEROCYCLIC COMPOUNDS CONTAINING A PYRROLOPYRIDINE OR BENZIMIDAZOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-30 US disclosed
US-20130137680-A1 HETEROCYCLIC COMPOUNDS CONTAINING A PYRROLOPYRIDINE OR BENZIMIDAZOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-30 US disclosed
EP-2509979-A1 HETEROCYCLIC COMPOUNDS CONTAINING A PYRROLOPYRIDINE OR BENZIMIDAZOLE CORE Boehringer Ingelheim International GmbH (DE) 2012-10-17 EP disclosed
WO-2011071725-A1 HETEROCYCLIC COMPOUNDS CONTAINING A PYRROLOPYRIDINE OR BENZIMIDAZOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 WO disclosed
WO-2011071725-A1 HETEROCYCLIC COMPOUNDS CONTAINING A PYRROLOPYRIDINE OR BENZIMIDAZOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 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-20130137680-A1 HETEROCYCLIC COMPOUNDS CONTAINING A PYRROLOPYRIDINE OR BENZIMIDAZOLE CORE PKD1, PAH, JAK2 RPS6KA3 955/4885RPS6KA2 1164/4885IRAK4 1268/4885

“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.