SCHEMBL1661713

SCHEMBL1661713

O=C(O)c1cn(Cc2cc[c]c(F)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 6/20 0.42
KDM5A P29375 4/20 0.42
KDM5B Q9UGL1 4/20 0.42
KDM4A O75164 3/20 0.42
RBP4 P02753 1/20 0.37
GRM2 Q14416 2/20 0.36
PLA2G4A P47712 1/20 0.35
KLKB1 P03952 1/20 0.35
SCD O00767 1/20 0.35
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 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
SCHEMBL18365944 0.80 KDM4C (0.47) KDM4CKDM5AKDM5BKDM4ARBP4
SCHEMBL30587480 0.80 KDM4C (0.47) KDM4CKDM5AKDM5BKDM4ARBP4
SCHEMBL15957010 0.78 KDM4C (0.65) KDM4CKDM5AKDM5BKDM4ARBP4
SCHEMBL18940460 0.76 KDM4C (0.43) KDM4CKDM5AKDM5BKDM4ARBP4
SCHEMBL3688462 0.75 KDM4C (0.57) KDM4CKDM5AKDM5BKDM4ARBP4
SCHEMBL1661165 0.75 PTGER1 (0.41)
SCHEMBL23188813 0.73 KDM4C (0.46) KDM4CKDM5AKDM5BKDM4ARBP4
SCHEMBL21314995 0.73 KDM4C (0.50) KDM4CKDM5AKDM5BKDM4ARBP4
SCHEMBL30504034 0.73 KDM4C (0.50) KDM4CKDM5AKDM5BKDM4ARBP4
SCHEMBL7078593 0.73 KDM4C (0.48) KDM4CKDM5AKDM5BKDM4ARBP4

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-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP claimed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US claimed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US claimed
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 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 (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-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 KDM4C 3924/4885KDM5A 2584/4885KDM5B 2549/4885

“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.