SCHEMBL12595455

SCHEMBL12595455

CC1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)nc3n21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 12/20 1.00
RPS6KA2 Q15349 10/20 0.79
PRKD3 O94806 1/20 0.79
ADRB2 P07550 1/20 0.79
RET P07949 1/20 0.79
PDGFRA P16234 1/20 0.79
FGFR2 P21802 1/20 0.79
ADORA2A P29274 1/20 0.79
ADRA1A P35348 1/20 0.79
ADRA1B P35368 1/20 0.79
FLT3 P36888 1/20 0.79
CLK1 P49759 1/20 0.79
CLK2 P49760 1/20 0.79
PRKD1 Q15139 1/20 0.79
LRRK2 Q5S007 1/20 0.79
PRKD2 Q9BZL6 1/20 0.79
NISCH Q9Y2I1 1/20 0.79

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
SCHEMBL14973127 0.93 RPS6KA3 (1.00) RPS6KA3RPS6KA2PRKD3ADRB2RET
SCHEMBL12595454 0.93 RPS6KA3 (1.00) RPS6KA3RPS6KA2PRKD3ADRB2RET
SCHEMBL1984978 0.89 RPS6KA3 (1.00) RPS6KA3RPS6KA2PRKD3ADRB2RET
SCHEMBL1979440 0.88 RPS6KA2 (1.00) RPS6KA3RPS6KA2PRKD3ADRB2RET
SCHEMBL1980595 0.88 RPS6KA2 (1.00) RPS6KA3RPS6KA2PRKD3ADRB2RET
SCHEMBL1981288 0.88 RPS6KA2 (1.00) RPS6KA3RPS6KA2PRKD3ADRB2RET
SCHEMBL31060674 0.88 RPS6KA2 (1.00) RPS6KA3RPS6KA2PRKD3ADRB2RET
SCHEMBL14973160 0.87 RPS6KA3 (1.00) RPS6KA3RPS6KA2PRKD3ADRB2RET
SCHEMBL12595293 0.87 RPS6KA3 (1.00) RPS6KA3RPS6KA2PRKD3ADRB2RET
SCHEMBL14972925 0.87 RPS6KA3 (1.00) RPS6KA3RPS6KA2PRKD3ADRB2RET

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
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 1164/4885PRKD3 546/4885

“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.