SCHEMBL966947

SCHEMBL966947

Nc1cc(SCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)nc(N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.47
▸ IDO1 P14902 1/20 0.47
▸ LMNA P02545 4/20 0.44
▸ TP53 P04637 3/20 0.44
▸ CDK8 P49336 2/20 0.44
▸ ENPP1 P22413 1/20 0.43
▸ GRM4 Q14833 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PSMD14 O00487 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ AR P10275 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL13126785 0.83 BACE1 (0.48) BACE1LMNATP53ENPP1MAPT
SCHEMBL968558 0.82 LMNA (0.56) LMNATP53MAPTMEN1KMT2A
SCHEMBL964843 0.77 HPGD (0.72) IDO1LMNATP53MAPTMEN1
SCHEMBL13126328 0.76 MAPT (0.50) BACE1LMNATP53MAPTMEN1
SCHEMBL1007657 0.75 LMNA (0.56) LMNATP53MAPTMEN1KMT2A
SCHEMBL963619 0.73 LMNA (0.53) LMNATP53MAPTMEN1KMT2A
SCHEMBL7751970 0.70 AR (0.55) BACE1LMNACDK8GRM4MAPT
SCHEMBL9892896 0.70 TSHR (0.63) LMNATP53GRM4MAPTMEN1
SCHEMBL4006280 0.70 GRM4 (0.57) TP53GRM4MAPTSMN1; SMN2L3MBTL1
SCHEMBL10327475 0.69 HPGD (0.69) IDO1LMNATP53MAPTMEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 BACE1 2699/4885IDO1 4137/4885LMNA 3817/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR BACE1 2699/4885IDO1 4137/4885LMNA 3817/4885

“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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