SCHEMBL3710643

SCHEMBL3710643

CC(C)(C)OC(=O)Nc1ccc(Cl)nc1CO

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.45
ATR Q13535 1/20 0.44
LCK P06239 3/20 0.39
CYP17A1 P05093 2/20 0.39
P2RX7 Q99572 1/20 0.39
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
METAP1 P53582 1/20 0.37
BRD4 O60885 1/20 0.36

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
SCHEMBL27874243 0.86 MAPKAPK2 (0.39) MAPKAPK2ATRLCKCYP17A1KMT2A
SCHEMBL1350746 0.84 MAPKAPK2 (0.42) MAPKAPK2ATRLCKCYP17A1P2RX7
SCHEMBL30937577 0.83 MAPKAPK2 (0.42) MAPKAPK2ATRLCKCYP17A1P2RX7
SCHEMBL16839951 0.83 MAPKAPK2 (0.41) MAPKAPK2ATRLCKCYP17A1P2RX7
SCHEMBL23628484 0.82 L3MBTL1 (0.41) LMNAKMT2A
SCHEMBL8074732 0.82 ATR (0.48) MAPKAPK2ATRLCKCYP17A1P2RX7
SCHEMBL30937609 0.82 MAPKAPK2 (0.43) MAPKAPK2ATRLCKCYP17A1P2RX7
Hydrochloric Acid SCHEMBL18668465 0.81 L3MBTL1 (0.40) LMNAKMT2A
SCHEMBL6870765 0.81 ATR (0.44) MAPKAPK2ATRLCKCYP17A1P2RX7
SCHEMBL12133550 0.81 LCK (0.46) MAPKAPK2ATRLCKCYP17A1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391623-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2011-12-07 EP disclosed
US-20110288090-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2011-11-24 US disclosed
WO-2010088177-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-08-05 WO disclosed
WO-2010088177-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-08-05 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-20110288090-A1 Inhibitors of AKT Activity PIK3CD, PIK3CA, PIK3CG MAPKAPK2 172/4885ATR 714/4885LCK 190/4885

“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.