SCHEMBL311020

SCHEMBL311020

Fc1ccc(-c2cnc(N3CCN(Cc4ccccc4)CC3)[nH]2)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.49
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ATM Q13315 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CNR2 P34972 8/20 0.44
TSHR P16473 3/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR1 P21554 5/20 0.43
HTT P42858 1/20 0.43
DRD4 P21917 2/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
RPS6KB1 P23443 2/20 0.41
AKT1 P31749 2/20 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
SCHEMBL311060 0.80 RPS6KB1 (0.46) RPS6KB1AKT1
SCHEMBL310924 0.74 RPS6KB1 (0.59) LMNAHTTRPS6KB1AKT1
Hydrochloric Acid SCHEMBL312002 0.73 RPS6KB1 (0.60) LMNAHTTRPS6KB1AKT1
SCHEMBL15732689 0.70 HPGDS (0.68) CNR2CNR1DRD4DRD2DRD3
SCHEMBL310736 0.69 HPGDS (0.66) CNR2CNR1DRD4DRD2DRD3
SCHEMBL9685478 0.68 TSHR (0.55) ALDH1A1KDM4EATMUSP2LMNA
SCHEMBL29636094 0.67 GRIN1 (0.76)
SCHEMBL20134570 0.67 GRIN1 (0.76)
SCHEMBL3919241 0.66 CHRM2 (0.62) HSD11B1ALDH1A1KDM4EATMTSHR
SCHEMBL28331203 0.65 KDM4E (0.58) ALDH1A1KDM4EMAPK1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 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-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 HSD11B1 4245/4885ALDH1A1 4473/4885KDM4E 2471/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 HSD11B1 4245/4885ALDH1A1 4473/4885KDM4E 2471/4885

“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.