SCHEMBL3517522

SCHEMBL3517522

Cc1nc(=O)[nH]c(=O)n1CC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
CDK9 P50750 1/20 0.35
CDK5 Q00535 1/20 0.35
DYRK1A Q13627 1/20 0.35
CDK5R1 Q15078 1/20 0.35
DYRK2 Q92630 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK4 Q9NR20 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
TSHR P16473 2/20 0.34
USP2 O75604 1/20 0.34
CNR1 P21554 1/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 3/20 0.33
TLR7 Q9NYK1 2/20 0.32
METAP2 P50579 2/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL3519866 0.79 MEN1 (0.37) TSHRHPGDKDM4EALDH1A1MEN1
SCHEMBL3519626 0.79 ADORA2B (0.40) TSHRHPGDKDM4EHSD17B10ALDH1A1
SCHEMBL3522549 0.73 ALDH1A1 (0.42) USP2HPGDKDM4EHSD17B10BRD4
SCHEMBL3520575 0.67 KDM4E (0.37) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL13009901 0.67 LMNA (0.37) KDM4EALDH1A1L3MBTL1
SCHEMBL16787448 0.66 ALDH1A1 (0.33) TSHRHPGDMETAP2HSD17B10AR
SCHEMBL23392926 0.64 MAPT (0.37) DYRK1AKDM4EHSD17B10ALDH1A1
SCHEMBL3177143 0.64 ADORA2A (0.37) TSHRHPGDTLR7METAP2HSD17B10
SCHEMBL17380748 0.63 CSNK1E (0.33) CSNK1ECLK1CLK2CLK3CDK9
SCHEMBL16322281 0.62 KMT2A (0.57) TSHRKDM4ETLR7METAP2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
EP-2241567-A1 BICYCLOAMINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-10-20 EP disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
WO-2009101917-A1 BICYCLOAMINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-08-20 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-20100331310-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 CSNK1E 1649/4885CLK1 1463/4885CLK2 774/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 CSNK1E 1649/4885CLK1 1463/4885CLK2 774/4885

“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.