SCHEMBL967681

SCHEMBL967681

Nc1nc(Cl)nc(OCC(=O)Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ GAA P10253 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ XBP1 P17861 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ ALDH1A1 P00352 1/20 0.52
▸ POLB P06746 1/20 0.48
▸ NTRK1 P04629 1/20 0.48
▸ NTRK2 Q16620 1/20 0.48
▸ USP2 O75604 1/20 0.47
▸ EPAS1 Q99814 1/20 0.47
▸ RHOC P08134 2/20 0.47
▸ RHOA P61586 2/20 0.47
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HDAC3 O15379 1/20 0.46

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
SCHEMBL967750 0.92 MAPT (0.64) MEN1KMT2AGAAMAPTXBP1
SCHEMBL966931 0.85 SMN1; SMN2 (0.57) MEN1KMT2AGAAMAPTXBP1
SCHEMBL966142 0.80 MEN1 (0.54) MEN1KMT2AGAAMAPTXBP1
SCHEMBL969360 0.76 SMN1; SMN2 (0.56) MEN1KMT2AGAAMAPTXBP1
SCHEMBL10327048 0.76 SMN1; SMN2 (0.55) MEN1KMT2AGAAMAPTXBP1
SCHEMBL968560 0.73 SMN1; SMN2 (0.52) MEN1KMT2AGAAMAPTXBP1
SCHEMBL3459306 0.73 KDR (0.51) MEN1KMT2AGAAMAPTXBP1
SCHEMBL965888 0.73 SMN1; SMN2 (0.51) MEN1KMT2AGAAMAPTXBP1
SCHEMBL963619 0.72 LMNA (0.53) MEN1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL2258105 0.72 MAPT (0.52) MEN1KMT2AGAAMAPTXBP1

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 13 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 disclosed
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 — — US disclosed
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
EP-1678168-A4 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2008-09-24 — — EP 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
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — US disclosed
EP-1678168-A2 P70S6 KINASE MODULATORS AND METHOD OF USE Exelixis, Inc. (US) 2006-07-12 — — EP disclosed
WO-2005039506-A2 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2005-05-06 — — 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 (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 MEN1 4049/4885KMT2A 3420/4885GAA 950/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR MEN1 4049/4885KMT2A 3420/4885GAA 950/4885

“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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