SCHEMBL2546157

SCHEMBL2546157

OCn1cnc(-c2ccc(F)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.42
KDM5B Q9UGL1 2/20 0.42
KDM4A O75164 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
FYN P06241 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2B6 P20813 1/20 0.38
QPCT Q16769 2/20 0.38
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL9810711 0.81 HPGDS (0.51) KDM5AKDM5BKDM4AKDM4CCYP3A4
Hydrochloric Acid SCHEMBL2546136 0.81 KDM5B (0.41) KDM5AKDM5BKDM4AKDM4CCYP11B1
SCHEMBL18042101 0.81 MAPK1 (0.41) KDM5AKDM5BKDM4AKDM4CCYP11B1
SCHEMBL29974363 0.80 KDM5A (0.47) KDM5AKDM5BKDM4AKDM4CRAB9A
SCHEMBL27468731 0.79 KDM5B (0.41) KDM5AKDM5BKDM4AKDM4CCYP11B1
SCHEMBL19311955 0.78 MEN1 (0.57) CYP11B1FYNRAB9ASMN1; SMN2NPC1
SCHEMBL9219546 0.77 QPCT (0.43) KDM5AKDM5BKDM4AKDM4CCYP11B1
SCHEMBL8653720 0.76 QPCT (0.42) KDM5AKDM5BKDM4AKDM4CCYP11B1
SCHEMBL8086790 0.76 MAPK13 (0.42) KDM5AKDM5BKDM4AKDM4CCYP11B1
SCHEMBL6404113 0.76 QPCT (0.39) KDM5AKDM5BKDM4AKDM4CCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209780-B1 NONSTEROIDAL COMPOUNDS USEFUL AS MODULATORS OF GLUCOCORTICOID RECEPTOR AP-1 AND/OR NF- KAPPA B ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2014-01-01 EP disclosed
US-8309730-B2 Nonsteroidal compounds useful as modulators of glucocorticoid receptor AP-1 and/or NF-kappab acitivity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-20110263494-A1 NONSTEROIDAL COMPOUNDS USEFUL AS MODULATORS OF GLUCOCORTICOID RECEPTOR AP-1 AND/OR NF-KAPPAB ACITIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-10-27 US disclosed
CN-101910171-A Nonsteroidal compounds useful as modulators of glucocorticoid receptor AP-1 and/or NF-kappa B activity and use thereof BRISTOL MYERS SQUIBB CO 2010-12-08 CN disclosed
EP-2209780-A2 NONSTEROIDAL COMPOUNDS USEFUL AS MODULATORS OF GLUCOCORTICOID RECEPTOR AP-1 AND/OR NF- KAPPA B ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2010-07-28 EP disclosed
WO-2009058944-A2 NONSTEROIDAL COMPOUNDS USEFUL AS MODULATORS OF GLUCOCORTICOID RECEPTOR AP-1 AND /OR NF- KAPPA B ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-07 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-20110263494-A1 NONSTEROIDAL COMPOUNDS USEFUL AS MODULATORS OF GLUCOCORTICOID RECEPTOR AP-1 AND/OR NF-KAPPAB ACITIVITY AND USE THEREOF NFKBIA, RELA, NR3C1 KDM5A 4334/4885KDM5B 4137/4885KDM4A 4155/4885

“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.