SCHEMBL2745274

SCHEMBL2745274

Cc1sc(C(N)=O)nc1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.35
LIMK1 P53667 2/20 0.35
SCN9A Q15858 1/20 0.35
PDPK1 O15530 1/20 0.33
CHUK O15111 1/20 0.31
PRKACA P17612 1/20 0.31
PRKACG P22612 1/20 0.31
PRKACB P22694 1/20 0.31
BTK Q06187 1/20 0.31
PARP1 P09874 1/20 0.31
F2 P00734 1/20 0.30
PLA2G10 O15496 1/20 0.30
TNIK Q9UKE5 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
PKM P14618 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL28215154 0.88 PTGER1 (0.35) IKBKBLIMK1SCN9AKDM4EALDH1A1
SCHEMBL28154454 0.84 ALDH1A1 (0.38) IKBKBCHUKTNIKKDM4ELMNA
SCHEMBL2677906 0.80 NOS1 (0.44) IKBKBLIMK1SCN9APRKACAKDM4E
SCHEMBL2305832 0.80 PPARD (0.35) IKBKBLIMK1PDPK1CHUKPRKACA
SCHEMBL5875660 0.79 HPGD (0.38) KDM4EALDH1A1
SCHEMBL2894541 0.78 PDPK1 (0.33) IKBKBLIMK1PDPK1CHUKPRKACA
Hydrochloric Acid SCHEMBL5013627 0.78 PPARD (0.34) IKBKBLIMK1PDPK1CHUKPRKACA
SCHEMBL27558227 0.78 NOS1 (0.48) IKBKBLIMK1PDPK1CHUKPRKACA
SCHEMBL17977484 0.77 IKBKB (0.34) IKBKBLIMK1SCN9ACHUKPRKACA
SCHEMBL10431346 0.77 F2 (0.33) IKBKBLIMK1PDPK1CHUKPRKACA

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
CN-107827841-A Trifluoromethyl alcohol as Ror γ t conditioning agents 詹森药业有限公司 2018-03-23 CN disclosed
CN-107108599-A Trifluoromethanols as Ror gamma t modulators 詹森药业有限公司 2017-08-29 CN disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. 2012-08-16 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 US disclosed
EP-1806342-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-07-11 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 (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-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 IKBKB 1468/4885LIMK1 4004/4885SCN9A 2676/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 IKBKB 2372/4885LIMK1 3300/4885SCN9A 2833/4885

“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.