Sugi Predict

Sugi Predict / Compounds / SCHEMBL361872

SCHEMBL361872

SCHEMBL361872

CC(=O)c1ccccc1C1(NC(=O)OC(C)(C)C)CCC1.c1cc2ccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ AKT1 P31749 2/20 0.38
▸ AKT2 P31751 1/20 0.38
▸ KIT P10721 2/20 0.37
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ PDK2 Q15119 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ CYP17A1 P05093 3/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ GHSR Q92847 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ PPIA P62937 1/20 0.32
▸ BCL2 P10415 1/20 0.32
▸ BECN1 Q14457 1/20 0.32

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
SCHEMBL538374 0.86 MEN1 (0.37) MEN1NPC1HTTRAB9AKMT2A
SCHEMBL30537895 0.81 MEN1 (0.39) MEN1NPC1HTTRAB9AKMT2A
SCHEMBL30463159 0.80 PDK2 (0.43) MEN1NPC1HTTRAB9AKMT2A
SCHEMBL30890423 0.76 AKT1 (0.39) MEN1NPC1HTTRAB9AKMT2A
SCHEMBL17040898 0.76 SSTR4 (0.47) MEN1NPC1RAB9AKMT2AAKT1
SCHEMBL25156100 0.74 AKT1 (0.43) MEN1NPC1HTTRAB9AKMT2A
SCHEMBL30343950 0.74 AKT1 (0.43) MEN1NPC1HTTRAB9AKMT2A
SCHEMBL25156271 0.74 HDAC3 (0.42) AKT1CNR1CNR2GHSRMAPK10
SCHEMBL22615404 0.74 NPC1 (0.46) MEN1NPC1HTTRAB9AKMT2A
SCHEMBL25156379 0.74 AKT1 (0.51) MEN1NPC1RAB9AKMT2AAKT1

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
EP-2593451-B1 SUBSTITUTED IMIDAZO[1,2-A]PYRIMIDINES AND -PYRIDINES BAYER IP GMBH (DE) 2015-08-19 — — EP disclosed
US-8975265-B2 Substituted imidazo[1,2-a]pyrimidines and —pyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-10 — — US disclosed
US-20130190332-A1 Substituted Imidazo[1,2-a]pyrimidines and -pyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 — — US disclosed
EP-2593451-A2 SUBSTITUTED IMIDAZO[1,2-A]PYRIMIDINES AND -PYRIDINES Bayer Intellectual Property GmbH (DE) 2013-05-22 — — EP disclosed
US-20120077810-A1 Inhibitors Of AKT Activity MERCK SHARP & DOHME LLC 2012-03-29 — — US disclosed
WO-2012007345-A2 SUBSTITUTED IMIDAZO[1,2-A]PYRIMIDINES AND -PYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 — — 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-20120077810-A1 Inhibitors Of AKT Activity PIK3CA, PIK3CD, PIK3CB MEN1 1792/4885NPC1 1856/4885HTT 3336/4885
US-20130190332-A1 Substituted Imidazo[1,2-a]pyrimidines and -pyridines PIK3CA, PIK3CD, PIK3CB MEN1 3978/4885NPC1 1173/4885HTT 4015/4885

“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.