SCHEMBL311060

SCHEMBL311060

Fc1ccc(-c2cnc(N3CCNCC3)[nH]2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 7/20 0.46
AKT1 P31749 3/20 0.46
RPS6KA5 O75582 2/20 0.45
RPS6KA4 O75676 2/20 0.45
RPS6KA3 P51812 2/20 0.45
RPS6KA2 Q15349 2/20 0.45
RPS6KA1 Q15418 2/20 0.45
RPS6KB2 Q9UBS0 2/20 0.45
RPS6KA6 Q9UK32 2/20 0.45
EPHX2 P34913 1/20 0.42
SOS1 Q07889 1/20 0.41
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
ADRB1 P08588 2/20 0.39
KCNH2 Q12809 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ADRB2 P07550 1/20 0.38
NCF1 P14598 1/20 0.38

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
SCHEMBL311020 0.80 HSD11B1 (0.49) RPS6KB1AKT1
SCHEMBL310924 0.77 RPS6KB1 (0.59) RPS6KB1AKT1RPS6KA5RPS6KA4RPS6KA3
Hydrochloric Acid SCHEMBL312002 0.76 RPS6KB1 (0.60) RPS6KB1AKT1RPS6KA5RPS6KA4RPS6KA3
SCHEMBL3317777 0.76 EPHX2 (0.56) RPS6KB1AKT1EPHX2SOS1ADRB1
SCHEMBL2928855 0.72 HTR3E (0.55) EPHX2SOS1ADRB1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL2276790 0.71 THRB (0.56) EPHX2SOS1ADRB1CYP1A2CYP2C19
SCHEMBL192858 0.68 HTR3A (0.43) ADRB1SIGMAR1
SCHEMBL14782635 0.68 RPS6KB1 (0.61) RPS6KB1AKT1RPS6KA5RPS6KA4RPS6KA3
SCHEMBL1686107 0.66 CYP1A2 (0.50) EPHX2SOS1ADRB1CYP1A2CYP2C19
SCHEMBL31030963 0.65 MPL (0.55)

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 113/4885RPS6KA5 5/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 RPS6KB1 6/4885AKT1 113/4885RPS6KA5 5/4885

“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.