SCHEMBL967168

SCHEMBL967168

CSc1nc(N)nc(NCC(=O)Nc2cccc(C(F)(F)F)c2)c1C=NO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ LMNA P02545 5/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ RECQL P46063 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ GRK2 P25098 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ XBP1 P17861 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ CHIT1 Q13231 1/20 0.40

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
SCHEMBL965219 1.00 ALDH1A1 (0.47) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL967167 1.00 ALDH1A1 (0.47) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL965578 0.95 ALDH1A1 (0.44) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL965577 0.95 ALDH1A1 (0.44) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL965311 0.95 ALDH1A1 (0.44) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL965220 0.94 GRK2 (0.47) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL964028 0.91 LMNA (0.44) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL965312 0.88 GRK2 (0.47) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL5140915 0.88 LMNA (0.47) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL5140916 0.88 LMNA (0.47) ALDH1A1LMNAKMT2AMEN1MAPT

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 7 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
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
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
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 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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