SCHEMBL618796

SCHEMBL618796

COc1cc(OC)c2cnc(-c3ccc4[nH]c(CCN5CCCC5)cc4c3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.58
BRD4 O60885 1/20 0.39
IL17A Q16552 1/20 0.39
HTR2A P28223 2/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
JAK2 O60674 1/20 0.37
ROCK2 O75116 1/20 0.37
PRKD3 O94806 1/20 0.37
PRKCG P05129 1/20 0.37
PHKG2 P15735 1/20 0.37
RPS6KB1 P23443 1/20 0.37
MARK3 P27448 1/20 0.37
PRKCI P41743 1/20 0.37
CLK2 P49760 1/20 0.37
IRAK1 P51617 1/20 0.37
RPS6KA3 P51812 1/20 0.37
PRKCD Q05655 1/20 0.37
MAP4K2 Q12851 1/20 0.37
STK3 Q13188 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
SCHEMBL619279 0.81 LOXL2 (0.40) TLR8TLR7LOXL2KDM4E
SCHEMBL378024 0.78 BRD4 (0.61) HRH3BRD4IL17A
SCHEMBL618613 0.78 BRD4 (0.49) BRD4IL17AKDM4E
SCHEMBL616068 0.76 BRD4 (0.46) HRH3BRD4IL17A
SCHEMBL617999 0.76 BRD4 (0.44) HRH3BRD4IL17ATLR7FLT3
SCHEMBL16516221 0.74 BRD4 (0.60) BRD4IL17A
SCHEMBL619094 0.73 BRD4 (0.59) BRD4IL17A
SCHEMBL618589 0.73 BRD4 (0.59) BRD4IL17A
SCHEMBL619114 0.72 BRD4 (0.58) BRD4IL17A
SCHEMBL617698 0.71 CHKA (0.49)

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
US-10882828-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2021-01-05 US disclosed
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2019-04-25 US disclosed
US-10131640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2018-11-20 US disclosed
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2016-05-19 US disclosed
US-9238640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2016-01-19 US disclosed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 US 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 (5 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-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 HRH3 1540/4885BRD4 700/4885IL17A 226/4885
US-10882828-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 HRH3 1620/4885BRD4 744/4885IL17A 264/4885
US-10131640-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 HRH3 1620/4885BRD4 744/4885IL17A 264/4885
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 HRH3 1540/4885BRD4 700/4885IL17A 226/4885
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 HRH3 1540/4885BRD4 700/4885IL17A 226/4885

“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.