SCHEMBL2900897

SCHEMBL2900897

CCOCCNc1nc(C(C)C)ncc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
REN P00797 1/20 0.35
CSNK2A1 P68400 2/20 0.35
SRC P12931 2/20 0.34
JAK2 O60674 2/20 0.34
JAK3 P52333 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
UTS2R Q9UKP6 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
TP53 P04637 2/20 0.33
PDE5A O76074 1/20 0.33
PDE6A P16499 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL2901196 0.83 KDM6B (0.46) JAK2JAK3HCAR3SIRT5JAK1
SCHEMBL2894358 0.82 JAK3 (0.44) ALDH1A1RENJAK2JAK3KDM4E
SCHEMBL2902975 0.79 FOS (0.47) ALDH1A1RENJAK2JAK3KDM4E
SCHEMBL2898749 0.79 MERTK (0.47) ALDH1A1RENJAK2JAK3JAK1
SCHEMBL15635868 0.72 DHODH (0.42) ALDH1A1KDM4EUTS2RTP53MEN1
SCHEMBL25438670 0.68 KDM4E (0.41) ALDH1A1JAK3RAB9AKDM4ETP53
SCHEMBL2899700 0.68 HCAR3 (0.50) ALDH1A1NPSR1KDM4EPDE5ALMNA
SCHEMBL17075527 0.67 HCAR3 (0.48) ALDH1A1CSNK2A1KDM4EALOX15HSD17B10
SCHEMBL31324963 0.67 HPGD (0.39) ALDH1A1RAB9AKDM4EMEN1KMT2A
SCHEMBL19913366 0.67 HPGD (0.54) ALDH1A1RAB9AKDM4EMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2202228-B1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL (JP) 2014-12-10 EP disclosed
EP-2202228-B1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL (JP) 2014-12-10 EP disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
EP-2202228-A1 AMIDE COMPOUNDS AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-06-30 EP disclosed
EP-2202228-A1 AMIDE COMPOUNDS AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-06-30 EP 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 (1 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-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME REN, ACE, AGT ALDH1A1 897/4885REN 1/4885CSNK2A1 3339/4885

“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.