SCHEMBL380261

SCHEMBL380261

CC(C)(C)OC(=O)Nc1cc(Br)cnc1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.45
RORC P51449 1/20 0.44
ATR Q13535 1/20 0.44
LCK P06239 1/20 0.39
MAPKAPK2 P49137 2/20 0.37
METAP1 P53582 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
TRPA1 O75762 1/20 0.36
P2RX3 P56373 2/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
BRD9 Q9H8M2 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
SCHEMBL30673292 0.87 AAK1 (0.46) AAK1RORCATRLCKMETAP1
SCHEMBL1699239 0.85 ATR (0.46) ATRLCKMAPKAPK2METAP1HSP90AA1
SCHEMBL858814 0.85 HPGD (0.41) NPC1RAB9ASMN1; SMN2
SCHEMBL28705728 0.84 ATR (0.45) RORCATRLCKMAPKAPK2METAP1
SCHEMBL2068048 0.84 AAK1 (0.48) AAK1RORCATRLCKMETAP1
SCHEMBL114995 0.83 ATR (0.44) ATRMAPKAPK2METAP1HSP90AA1HSP90AB1
SCHEMBL15223288 0.83 ATR (0.44) AAK1RORCATRMAPKAPK2METAP1
SCHEMBL21500091 0.82 AAK1 (0.49) AAK1RORCATRLCKMETAP1
SCHEMBL28708582 0.82 ATR (0.46) ATRLCKMAPKAPK2METAP1HSP90AA1
SCHEMBL12358958 0.82 AAK1 (0.44) AAK1RORCATRLCKMETAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729074-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2014-05-20 US disclosed
US-8729074-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2014-05-20 US disclosed
US-8729074-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2014-05-20 US disclosed
US-20120071474-A1 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2012-03-22 US disclosed
US-20120071474-A1 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2012-03-22 US disclosed
US-20120071474-A1 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2012-03-22 US disclosed
EP-2408773-A2 INHIBITORS OF PI3 KINASE Amgen, Inc (US) 2012-01-25 EP disclosed
WO-2010108074-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2010-09-23 WO disclosed
WO-2010108074-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2010-09-23 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-20120071474-A1 INHIBITORS OF PI3 KINASE PIK3CA, PIK3CD, PIK3CG AAK1 502/4885RORC 1027/4885ATR 669/4885

“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.