SCHEMBL4813229

SCHEMBL4813229

N#Cc1ccc2c(Cc3ccccc3Br)c[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.45
AHR P35869 2/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PCSK9 Q8NBP7 1/20 0.42
CSNK2A1 P68400 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
CDK2 P24941 2/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
NR3C2 P08235 1/20 0.40
BCHE P06276 1/20 0.40
SLC6A4 P31645 4/20 0.40

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
SCHEMBL4812558 0.79 SSTR4 (0.43) GPR84MEN1KMT2ACSNK2A1NR3C1
SCHEMBL659621 0.76 IDO1 (0.47) CSNK2A1SLC6A4
SCHEMBL2539430 0.76 HTR2A (0.65) MEN1CYP3A4MAPTKMT2ADRD3
SCHEMBL31573289 0.76 HTR2A (0.65) MEN1CYP3A4MAPTKMT2ADRD3
SCHEMBL24328223 0.75 SLC6A4 (0.46) GPR84DRD2DRD4DRD3CDK2
SCHEMBL29005985 0.75 SLC6A4 (0.62) GPR84DRD2DRD4DRD3SLC6A4
SCHEMBL28902311 0.74 PKM (0.57) GPR84MEN1MAPTKMT2ACDK2
SCHEMBL4815551 0.74 GABRA1 (0.43) GPR84CDK2NR3C1PGRNR3C2
SCHEMBL13497718 0.73 SLC6A4 (0.53) MEN1KMT2ACDK2NR3C1PGR
SCHEMBL31744810 0.73 GPR84 (0.78) GPR84AHRMEN1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent BRISTOL-MYERS SQUIBB COMPANY 2005-10-13 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 (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-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent F12, F11, F2 GPR84 2463/4885AHR 1664/4885MEN1 1649/4885

“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.