SCHEMBL965836

SCHEMBL965836

N#Cc1cnc(N2CCOCC2)nc1NCC(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.50
▸ BRAF P15056 6/20 0.47
▸ RAF1 P04049 5/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ IDH2 P48735 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL965838 0.93 AKT1 (0.46) AKT1BRAFRAF1SMN1; SMN2RXFP1
SCHEMBL10327211 0.92 AKT1 (0.50) AKT1BRAFRAF1SMN1; SMN2LMNA
SCHEMBL10327354 0.87 AKT1 (0.52) AKT1BRAFRAF1SMN1; SMN2LMNA
SCHEMBL967985 0.79 MAPT (0.46) SMN1; SMN2RXFP1LMNAMAPTKMT2A
SCHEMBL3459645 0.75 AKT1 (0.60) AKT1BRAFRAF1LMNAMAPT
SCHEMBL967987 0.72 MAPT (0.44) SMN1; SMN2RXFP1LMNAMAPTKMT2A
SCHEMBL3459651 0.71 AKT1 (0.56) AKT1BRAFRAF1LMNAMAPT
SCHEMBL967099 0.69 SMN1; SMN2 (0.57) AKT1SMN1; SMN2RXFP1LMNAMAPT
SCHEMBL5208545 0.69 LMNA (0.63) AKT1LMNAMAPTKMT2AGAA
SCHEMBL12947024 0.68 LCK (0.50) SMN1; SMN2LMNAMAPTKMT2AGAA

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
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP claimed
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 — — US claimed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US claimed
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 — — US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — 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-20110021525-A1 P70S6 Kinase Modulators and Method of Use EEF2K, RPS6KA3, MTOR AKT1 18/4885BRAF 342/4885RAF1 280/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR AKT1 18/4885BRAF 342/4885RAF1 280/4885

“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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