SCHEMBL966073

SCHEMBL966073

CSc1nc(N)nc(NCC(=O)Nc2cccc(C(F)(F)F)c2)c1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 6/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ RECQL P46063 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ GAA P10253 2/20 0.45
▸ XBP1 P17861 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ THRB P10828 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ NTRK1 P04629 1/20 0.42
▸ NTRK2 Q16620 1/20 0.42
▸ HDAC3 O15379 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
SCHEMBL10327506 0.90 SMN1; SMN2 (0.47) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL964028 0.87 LMNA (0.44) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL968748 0.86 KMT2A (0.57) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL965577 0.85 ALDH1A1 (0.44) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL965219 0.85 ALDH1A1 (0.47) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL967167 0.85 ALDH1A1 (0.47) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL965578 0.85 ALDH1A1 (0.44) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL967168 0.85 ALDH1A1 (0.47) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL965311 0.85 ALDH1A1 (0.44) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL968560 0.83 SMN1; SMN2 (0.52) SMN1; SMN2LMNAALDH1A1KMT2AMEN1

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 SMN1; SMN2 2850/4885LMNA 3817/4885ALDH1A1 4491/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR SMN1; SMN2 2850/4885LMNA 3817/4885ALDH1A1 4491/4885

“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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