SCHEMBL115055

SCHEMBL115055

CC(C)(C)OC(=O)Nc1cc(N=C(c2ccccc2)c2ccccc2)cnc1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 1/20 0.40
▸ ATR Q13535 1/20 0.39
▸ BRD9 Q9H8M2 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ SCD O00767 1/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ PTGER1 P34995 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ METAP1 P53582 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL14797872 0.83 NPC1 (0.39) KDM4EKMT2A
SCHEMBL30433088 0.81 MAPKAPK2 (0.41) MAPKAPK2ATRBRD9KDM4EBRD4
SCHEMBL29187575 0.81 MAPKAPK2 (0.41) MAPKAPK2ATRBRD9KDM4EBRD4
SCHEMBL28705728 0.79 ATR (0.45) MAPKAPK2ATRBRD9BRD4HSP90AA1
SCHEMBL1699239 0.75 ATR (0.46) MAPKAPK2ATRBRD9HSP90AA1HSP90AB1
SCHEMBL18961320 0.74 ATR (0.43) MAPKAPK2ATRBRD9HSP90AA1HSP90AB1
SCHEMBL31093831 0.74 CYP2C9 (0.49) ATRKDM4EBRD4SCDCYP2C9
SCHEMBL18940388 0.73 ATR (0.51) MAPKAPK2ATRKDM4ENAMPTMETAP1
SCHEMBL380261 0.73 AAK1 (0.45) MAPKAPK2ATRBRD9HSP90AA1HSP90AB1
SCHEMBL15223288 0.73 ATR (0.44) MAPKAPK2ATRHSP90AA1HSP90AB1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 — — EP disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 — — US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 — — US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 — — US disclosed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 — — EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 — — WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 — — US 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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD MAPKAPK2 85/4885ATR 982/4885BRD9 1329/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD MAPKAPK2 85/4885ATR 982/4885BRD9 1329/4885

“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.

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