SCHEMBL3718374

SCHEMBL3718374

CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2c(Br)cnc3[nH]ncc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.49
MC4R P32245 4/20 0.44
HRH2 P25021 3/20 0.42
HRH1 P35367 3/20 0.42
KMT2A Q03164 2/20 0.41
CALCA P06881 2/20 0.40
P2RX7 Q99572 1/20 0.39
MC5R P33032 1/20 0.39
MC3R P41968 1/20 0.39
MAPK1 P28482 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
SCN9A Q15858 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38

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
SCHEMBL3718372 1.00 AKT1 (0.49) AKT1MC4RHRH2HRH1KMT2A
SCHEMBL3728445 0.90 AKT1 (0.49) AKT1MC4RHRH2HRH1KMT2A
SCHEMBL3728447 0.90 AKT1 (0.49) AKT1MC4RHRH2HRH1KMT2A
SCHEMBL3731039 0.81 AKT1 (0.72) AKT1
SCHEMBL3731036 0.81 AKT1 (0.72) AKT1
Hydrochloric Acid SCHEMBL3725200 0.81 AKT1 (0.70) AKT1
Hydrochloric Acid SCHEMBL3725195 0.81 AKT1 (0.70) AKT1
SCHEMBL2795737 0.80 CYP3A4 (0.49) AKT1MC4RHRH2HRH1KMT2A
SCHEMBL2797172 0.80 CYP3A4 (0.58) AKT1MC4RCALCA
SCHEMBL3721994 0.80 AKT1 (0.49) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372842-B2 Pyrazolopyridines as kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-02-12 US disclosed
EP-2242757-B1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2012-08-01 EP disclosed
US-20100280043-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-11-04 US disclosed
EP-2242757-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-10-27 EP disclosed
WO-2009089359-A1 PYRAZOLOPYRIDINES 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 (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-20100280043-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B AKT1 567/4885MC4R 4760/4885HRH2 1780/4885

“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.