SCHEMBL967392

SCHEMBL967392

COc1nc(N)nc(NNC(=O)Nc2cccc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ MAPT P10636 6/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ KDR P35968 3/20 0.44
▸ LCK P06239 1/20 0.44
▸ RAF1 P04049 1/20 0.43
▸ HTT P42858 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPK14 Q16539 1/20 0.42
▸ TNNI3K Q59H18 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ KCNMA1 Q12791 1/20 0.42

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
SCHEMBL963926 0.90 ALDH1A1 (0.48) LMNAALDH1A1MAPTNPC1KDR
SCHEMBL10327389 0.88 LMNA (0.55) LMNAALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL10327307 0.87 LMNA (0.49) LMNAALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL964493 0.85 ALDH1A1 (0.51) LMNAALDH1A1MAPTSMN1; SMN2KDR
SCHEMBL3460054 0.84 SMN1; SMN2 (0.44) LMNAALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL963272 0.83 SMN1; SMN2 (0.47) LMNAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL3460056 0.82 SMN1; SMN2 (0.40) LMNAALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL12947085 0.80 KDM4E (0.41) LMNAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL12947395 0.79 TRPV4 (0.41) LMNAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL3460495 0.78 KDM4E (0.38) LMNAALDH1A1MAPTNPC1SMN1; SMN2

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 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-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — US claimed
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
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

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 LMNA 3817/4885ALDH1A1 4491/4885MAPT 3812/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR LMNA 3817/4885ALDH1A1 4491/4885MAPT 3812/4885

“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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