SCHEMBL311788

SCHEMBL311788

FC(F)(F)c1cccc(-c2c[nH]c(C3CCN(c4ncnc5[nH]ncc45)CC3)n2)c1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 11/20 0.73
RPS6KA5 O75582 3/20 0.73
RPS6KA4 O75676 3/20 0.73
RPS6KA3 P51812 3/20 0.73
RPS6KA2 Q15349 3/20 0.73
RPS6KA1 Q15418 3/20 0.73
RPS6KB2 Q9UBS0 3/20 0.73
RPS6KA6 Q9UK32 3/20 0.73
PAK1 Q13153 4/20 0.58
KIT P10721 2/20 0.54
AKT1 P31749 4/20 0.51
PAK3 O75914 1/20 0.49
PAK2 Q13177 1/20 0.49
AKT2 P31751 2/20 0.47
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44

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
Hydrochloric Acid SCHEMBL312213 0.99 RPS6KB1 (0.74) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2
Hydrochloric Acid SCHEMBL15732602 0.89 RPS6KB1 (0.60) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2
Hydrochloric Acid SCHEMBL15732548 0.87 RPS6KB1 (0.57) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2
SCHEMBL10161369 0.86 RPS6KB1 (0.54) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2
SCHEMBL3721551 0.86 RPS6KB1 (0.54) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2
Hydrochloric Acid SCHEMBL15732524 0.86 RPS6KB1 (0.57) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2
Hydrochloric Acid SCHEMBL15732649 0.84 RPS6KB1 (0.64) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2
Hydrochloric Acid SCHEMBL15732632 0.84 RPS6KB1 (0.56) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2
Hydrochloric Acid SCHEMBL15732652 0.83 RPS6KB1 (0.76) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2
Hydrochloric Acid SCHEMBL15732520 0.83 RPS6KB1 (0.59) RPS6KB1RPS6KA5RPS6KA4RPS6KA3RPS6KA2

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-2148880-B1 P70 S6 KINASE INHIBITORS LILLY CO ELI (US) 2014-05-28 EP disclosed
EP-2148880-B1 P70 S6 KINASE INHIBITORS LILLY CO ELI (US) 2014-05-28 EP disclosed
US-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 US disclosed
US-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 US disclosed
US-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
EP-2148880-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2010-02-03 EP disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 US disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 US disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 US disclosed
WO-2008140947-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2008-11-20 WO disclosed
WO-2008140947-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2008-11-20 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-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 RPS6KB1 6/4885RPS6KA5 5/4885RPS6KA4 8/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 RPS6KB1 6/4885RPS6KA5 5/4885RPS6KA4 8/4885

“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.