SCHEMBL2678809

SCHEMBL2678809

CC(=O)c1cccc(-c2ccc(C34CCCN(CCC3)C4)cn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 15/20 0.45
MAP4K4 O95819 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
FGFR1 P11362 1/20 0.42
PRKACA P17612 1/20 0.42
KDR P35968 1/20 0.42
MAP2K2 P36507 1/20 0.42
MAPK8 P45983 1/20 0.42
CDK8 P49336 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
RPS6KA3 P51812 1/20 0.42
LIMK1 P53667 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
SCHEMBL2679033 0.93 FYN (0.46) FYNMAP4K4CLK4AURKADAPK3
SCHEMBL5156396 0.81 KDM1A (0.43)
SCHEMBL2678219 0.81 HPGDS (0.43) FYNMAP4K4HSD11B1
Bromide SCHEMBL4466442 0.81 KDM1A (0.42)
SCHEMBL2678305 0.81 KDM1A (0.47) FYNCLK4HRH3
SCHEMBL2678244 0.80 HSD11B1 (0.41) HSD11B1
SCHEMBL4460475 0.80 FYN (0.41) FYNMAP4K4CLK4AURKADAPK3
SCHEMBL4466231 0.79 HPGDS (0.41) FYNMAP4K4HSD11B1
SCHEMBL2678940 0.78 CYP2A6 (0.49) CLK4
Bromide SCHEMBL4480660 0.78 HPGDS (0.41) FYNMAP4K4HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759343-B2 Azabicycloalkane derivatives, preparation thereof and use thereof in therapy SANOFI (FR) 2014-06-24 US disclosed
EP-2118104-B1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY SANOFI SA (FR) 2013-01-02 EP disclosed
US-20120202807-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY SANOFI (FR) 2012-08-09 US disclosed
US-8173669-B2 Azabicycloalkane derivatives, preparation thereof and use thereof in therapy SANOFI-AVENTIS (FR) 2012-05-08 US disclosed
US-20100035916-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY SANOFI-AVENTIS (FR) 2010-02-11 US disclosed
EP-2118104-A2 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY Sanofi-Aventis (FR) 2009-11-18 EP disclosed
WO-2008110699-A2 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY SANOFI-AVENTIS (FR) 2008-09-18 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-20120202807-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY TPMT, CYP51A1, ABL1 FYN 302/4885MAP4K4 3013/4885CLK4 4640/4885
US-20100035916-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY TPMT, CYP51A1, ABL1 FYN 302/4885MAP4K4 3013/4885CLK4 4640/4885

“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.