SCHEMBL310981

SCHEMBL310981

CCn1cc(-c2ccc(F)c(Cl)c2)nc1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 13/20 0.51
AKT1 P31749 13/20 0.51
DRD2 P14416 4/20 0.47
DRD4 P21917 4/20 0.47
DRD3 P35462 4/20 0.47
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AXL P30530 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
SCHEMBL15732571 0.88 DRD2 (0.48) RPS6KB1AKT1DRD2DRD4DRD3
SCHEMBL15732682 0.85 DRD2 (0.46) RPS6KB1AKT1DRD2DRD4DRD3
SCHEMBL27797326 0.81 RPS6KB1 (0.49) RPS6KB1AKT1
Hydrochloric Acid SCHEMBL311315 0.81 RPS6KB1 (0.48) RPS6KB1AKT1
SCHEMBL15732660 0.80 RPS6KB1 (0.49) RPS6KB1AKT1DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL15732564 0.72 RPS6KB1 (0.67) RPS6KB1AKT1
SCHEMBL11904822 0.72 RPS6KB1 (0.41) RPS6KB1AKT1
SCHEMBL11904825 0.72 RPS6KB1 (0.41) RPS6KB1AKT1
SCHEMBL11904468 0.72 RPS6KB1 (0.41) RPS6KB1AKT1
SCHEMBL14782352 0.71 RPS6KB1 (0.64) RPS6KB1AKT1

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 8 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
CN-101679439-B P70S 6 kinase inhibitors LILLY CO ELI 2013-09-11 CN 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
CN-101679439-A P70S 6 kinase inhibitors LILLY CO ELI 2010-03-24 CN 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
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 6/4885AKT1 113/4885DRD2 4859/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 RPS6KB1 6/4885AKT1 113/4885DRD2 4859/4885

“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.