SCHEMBL1980215

SCHEMBL1980215

CC1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5[nH]4)cc3n21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 20/20 1.00
RPS6KA3 P51812 4/20 0.68
PRKD3 O94806 1/20 0.62
ADRB2 P07550 1/20 0.62
RET P07949 1/20 0.62
PDGFRA P16234 1/20 0.62
FGFR2 P21802 1/20 0.62
ADORA2A P29274 1/20 0.62
ADRA1A P35348 1/20 0.62
ADRA1B P35368 1/20 0.62
FLT3 P36888 1/20 0.62
CLK1 P49759 1/20 0.62
CLK2 P49760 1/20 0.62
PRKD1 Q15139 1/20 0.62
LRRK2 Q5S007 1/20 0.62
PRKD2 Q9BZL6 1/20 0.62
NISCH Q9Y2I1 1/20 0.62

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
SCHEMBL1979554 0.91 RPS6KA2 (1.00) RPS6KA2RPS6KA3
SCHEMBL1981571 0.89 RPS6KA2 (0.88) RPS6KA2RPS6KA3
SCHEMBL1979710 0.84 RPS6KA2 (1.00) RPS6KA2RPS6KA3PRKD3ADRB2RET
SCHEMBL1979338 0.82 RPS6KA2 (1.00) RPS6KA2RPS6KA3PRKD3ADRB2RET
SCHEMBL1977787 0.82 RPS6KA2 (1.00) RPS6KA2RPS6KA3PRKD3ADRB2RET
SCHEMBL12598709 0.81 RPS6KA2 (1.00) RPS6KA2RPS6KA3
SCHEMBL1978542 0.81 RPS6KA2 (1.00) RPS6KA2RPS6KA3PRKD3ADRB2RET
SCHEMBL12598764 0.79 RPS6KA2 (1.00) RPS6KA2RPS6KA3
SCHEMBL14907208 0.79 RPS6KA2 (1.00) RPS6KA2RPS6KA3
SCHEMBL12598717 0.79 RPS6KA2 (0.68) RPS6KA2RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US claimed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US claimed
EP-2509980-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE Boehringer Ingelheim International GmbH (DE) 2012-10-17 EP claimed
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 WO claimed
US-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
EP-2509980-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE Boehringer Ingelheim International GmbH (DE) 2012-10-17 EP disclosed
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 WO disclosed
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE 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-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BRSK2, RPS6KA2, RPS6KB2 RPS6KA2 2/4885RPS6KA3 4/4885PRKD3 67/4885

“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.