SCHEMBL3664969

SCHEMBL3664969

COc1n[nH]c2ncc(-c3ccccc3)c(N3CCN(C(=O)C(Cc4ccc(Cl)cc4)NC(=O)OC(C)(C)C)CC3)c12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MC4R P32245 3/20 0.43
HRH2 P25021 3/20 0.43
HRH1 P35367 3/20 0.43
KMT2A Q03164 2/20 0.42
PARP1 P09874 1/20 0.42
PABPC1 P11940 1/20 0.41
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
SCN9A Q15858 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
P2RX7 Q99572 2/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL3664971 1.00 MC4R (0.43) MC4RHRH2HRH1KMT2APARP1
SCHEMBL3741797 0.86 AKT1 (0.50)
SCHEMBL3717066 0.86 AKT1 (0.50)
SCHEMBL3723266 0.86 AKT1 (0.49) MC4RHRH2HRH1KMT2APARP1
SCHEMBL3723265 0.86 AKT1 (0.49) MC4RHRH2HRH1KMT2APARP1
SCHEMBL3724001 0.84 AKT1 (0.47) MC4RHRH2HRH1KMT2APARP1
SCHEMBL3724003 0.84 AKT1 (0.47) MC4RHRH2HRH1KMT2APARP1
SCHEMBL3719423 0.83 MMP1 (0.39) MC4RMMP1MMP3
SCHEMBL3719430 0.83 MMP1 (0.39) MC4RMMP1MMP3
SCHEMBL3717152 0.81 AKT3 (0.37)

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 MC4R 4760/4885HRH2 1780/4885HRH1 1640/4885

“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.