SCHEMBL3459645

SCHEMBL3459645

Nc1nc(NCC(=O)Nc2cccc(C(F)(F)F)c2)cc(N2CCOCC2)n1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 2/20 0.60
▸ RAF1 P04049 10/20 0.55
▸ BRAF P15056 10/20 0.55
▸ PIK3CB P42338 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ KMT2A Q03164 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ RAB9A P51151 1/20 0.47

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
SCHEMBL3459651 0.93 AKT1 (0.56) AKT1RAF1BRAFPIK3CBLMNA
SCHEMBL13126223 0.86 PIK3CB (0.57) AKT1RAF1BRAFPIK3CB
SCHEMBL3459306 0.80 KDR (0.51) LMNAKMT2AGAAMAPTALDH1A1
SCHEMBL10327354 0.79 AKT1 (0.52) AKT1RAF1BRAFLMNAKMT2A
SCHEMBL967953 0.77 SMN1; SMN2 (0.48) LMNAKMT2AGAAMAPTALDH1A1
SCHEMBL29671886 0.76 AKT1 (0.55) AKT1RAF1BRAFPIK3CBLMNA
SCHEMBL28755083 0.76 AKT1 (0.55) AKT1RAF1BRAFPIK3CBLMNA
SCHEMBL1027722 0.75 AKT1 (1.00) AKT1PIK3CB
SCHEMBL10327348 0.75 AKT1 (0.52) AKT1LMNAGAAMAPTALDH1A1
SCHEMBL965836 0.75 AKT1 (0.50) AKT1RAF1BRAFLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 18/4885RAF1 280/4885BRAF 342/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR AKT1 18/4885RAF1 280/4885BRAF 342/4885

“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.

Send feedback