SCHEMBL3723246

SCHEMBL3723246

COc1cccc(-c2cnc3[nH]ccc3c2N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 6/20 0.44
MC4R P32245 2/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
WNK1 Q9H4A3 1/20 0.40
KIT P10721 1/20 0.40
HRH2 P25021 3/20 0.39
HRH1 P35367 3/20 0.39
CYP51A1 Q16850 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.38
PARP1 P09874 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3723245 1.00 AKT1 (0.44) AKT1MC4RFNTAFNTBWNK1
SCHEMBL3723573 0.92 AKT1 (0.45) AKT1MC4RFNTAFNTBHRH2
SCHEMBL3723575 0.92 AKT1 (0.45) AKT1MC4RFNTAFNTBHRH2
SCHEMBL3774558 0.91 AKT1 (0.45) AKT1MC4RWNK1KITCYP51A1
SCHEMBL3724003 0.91 AKT1 (0.47) AKT1MC4RHRH2HRH1MAPK1
SCHEMBL3724001 0.91 AKT1 (0.47) AKT1MC4RHRH2HRH1MAPK1
SCHEMBL3720574 0.87 AKT1 (0.58) AKT1
SCHEMBL3720578 0.87 AKT1 (0.58) AKT1
SCHEMBL3732123 0.84 AKT1 (0.48) AKT1MC4RHRH2HRH1KMT2A
SCHEMBL3732126 0.84 AKT1 (0.48) AKT1MC4RHRH2HRH1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841304-B2 Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-23 US disclosed
US-20140221370-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-08-07 US disclosed
EP-2242755-B1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-12 EP disclosed
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-12-23 US disclosed
EP-2242755-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-10-27 EP disclosed
WO-2009089352-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 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 (2 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-20140221370-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B AKT1 537/4885MC4R 4778/4885FNTA 3233/4885
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B AKT1 531/4885MC4R 4766/4885FNTA 3319/4885

“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.