SCHEMBL964493

SCHEMBL964493

CSc1nc(N)nc(NNC(=O)Nc2cccc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ PKM P14618 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ LCK P06239 3/20 0.46
▸ KDR P35968 3/20 0.46
▸ MAPT P10636 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ IDH1 O75874 1/20 0.42
▸ MAPK14 Q16539 2/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ TEK Q02763 1/20 0.42
▸ KCNMA1 Q12791 1/20 0.42
▸ KIT P10721 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
SCHEMBL10327490 0.88 ALDH1A1 (0.53) ALDH1A1LMNAKMT2AMEN1PKM
SCHEMBL12946791 0.85 HPGD (0.51) ALDH1A1LMNAKMT2AMEN1PKM
SCHEMBL967392 0.85 LMNA (0.53) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL968748 0.84 KMT2A (0.57) ALDH1A1LMNAKMT2AMEN1PKM
SCHEMBL14421501 0.84 SMN1; SMN2 (0.49) ALDH1A1LMNAKMT2AMEN1PKM
SCHEMBL10181156 0.84 SMN1; SMN2 (0.49) ALDH1A1LMNAKMT2AMEN1PKM
SCHEMBL10180462 0.84 SMN1; SMN2 (0.49) ALDH1A1LMNAKMT2AMEN1PKM
SCHEMBL3459036 0.83 KMT2A (0.49) ALDH1A1LMNAKMT2AMEN1PKM
SCHEMBL965968 0.83 KMT2A (0.55) ALDH1A1LMNAKMT2AMEN1PKM
SCHEMBL10181763 0.83 KMT2A (0.49) ALDH1A1LMNAKMT2AMEN1PKM

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 ALDH1A1 4491/4885LMNA 3817/4885KMT2A 3420/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR ALDH1A1 4491/4885LMNA 3817/4885KMT2A 3420/4885

“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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