SCHEMBL21178411

SCHEMBL21178411

Fc1cc2cc[nH]c2nc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.45
AXL P30530 2/20 0.37
CDK8 P49336 1/20 0.37
MAPK1 P28482 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
AHR P35869 4/20 0.35
NUDT1 P36639 2/20 0.35
CYP2A6 P11509 1/20 0.35
NR4A2 P43354 1/20 0.35
RIPK1 Q13546 3/20 0.35
APP P05067 1/20 0.33
PRKCI P41743 1/20 0.33
TNF P01375 1/20 0.33
BTK Q06187 2/20 0.33
ITK Q08881 2/20 0.33
CSNK2A1 P68400 1/20 0.32
SYK P43405 1/20 0.32

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
SCHEMBL29725317 1.00 GPR84 (0.45) GPR84AXLCDK8MAPK1PIK3CD
SCHEMBL18012904 0.80 GPR84 (0.45) GPR84AXLCDK8PIK3CDPIK3CA
SCHEMBL5925932 0.79 GPR84 (0.48) GPR84AXLCDK8MAPK1PIK3CD
SCHEMBL1565089 0.76 AXL (0.41) GPR84AXLCDK8MAPK1PIK3CD
SCHEMBL16621143 0.76 GPR84 (0.45) GPR84AXLCDK8MAPK1PIK3CD
SCHEMBL9288889 0.76 GPR84 (0.45) GPR84AXLCDK8MAPK1PIK3CD
SCHEMBL31398506 0.76 CSNK2A1 (0.44) AXLCDK8MAPK1PIK3CDPIK3CA
SCHEMBL23094481 0.72 CDK8 (0.40) AXLCDK8MAPK1PIK3CDPIK3CA
SCHEMBL31438054 0.72 RIPK1 (0.43) GPR84AXLCDK8PIK3CDPIK3CA
SCHEMBL17998758 0.72 GPR84 (0.41) GPR84AXLCDK8PIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021138419-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC, (US) 2021-07-08 WO disclosed
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 US disclosed
EP-3740207-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2020-11-25 EP disclosed
WO-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 WO disclosed
WO-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 GPR84 1290/4885AXL 4280/4885CDK8 2171/4885

“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.