SCHEMBL14973148

SCHEMBL14973148

C[C@H]1CNC(=O)c2cc3ccc(C(=O)Nc4cnc5ccccc5c4)nc3n21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 20/20 1.00
RPS6KA2 Q15349 2/20 0.62
RPS6KA1 Q15418 1/20 0.59
RPS6KA6 Q9UK32 1/20 0.59

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
SCHEMBL1991945 1.00 RPS6KA3 (1.00) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL3084039 0.84 RPS6KA3 (0.72) RPS6KA3RPS6KA2
SCHEMBL1991934 0.83 RPS6KA3 (1.00) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL14972910 0.83 RPS6KA3 (1.00) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL1987378 0.83 RPS6KA3 (1.00) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL12595338 0.81 RPS6KA3 (0.89) RPS6KA3RPS6KA2
SCHEMBL1983226 0.80 RPS6KA3 (1.00) RPS6KA3RPS6KA2
SCHEMBL12595444 0.80 RPS6KA3 (1.00) RPS6KA3
SCHEMBL1993377 0.79 RPS6KA3 (1.00) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL1988119 0.79 RPS6KA3 (1.00) RPS6KA3RPS6KA2RPS6KA1RPS6KA6

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 8 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 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

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 1164/4885RPS6KA1 900/4885

“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.