SCHEMBL19965113

SCHEMBL19965113

O=C1c2cccc(Br)c2CN1c1ccnc(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.41
GRM1 Q13255 3/20 0.40
CBLB Q13191 2/20 0.39
MAP3K5 Q99683 2/20 0.38
CDK5 Q00535 2/20 0.37
PIM1 P11309 1/20 0.37
CSNK1A1 P48729 1/20 0.37
ROCK1 Q13464 1/20 0.37
DYRK1A Q13627 1/20 0.37
LRRK2 Q5S007 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
UGCG Q16739 4/20 0.36
CDK5R1 Q15078 1/20 0.36
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
MAP4K1 Q92918 1/20 0.35
RPS6KA5 O75582 1/20 0.35

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
SCHEMBL19965112 0.75 FFAR4 (0.36) CBLBMAP3K5CDK5UGCGCDK5R1
SCHEMBL31069542 0.69 CBLB (0.43) GRM1CBLBMAP3K5CDK5PIM1
SCHEMBL9979662 0.68 NPC1 (0.59) GRM1CBLBCDK5PIM1CSNK1A1
SCHEMBL10086535 0.68 CBLB (0.52) GRM1CBLBUGCG
SCHEMBL23703872 0.68 GRM1 (0.46) GRM1CBLB
SCHEMBL29993525 0.68 GRM1 (0.46) GRM1CBLB
SCHEMBL1333882 0.67 PIM1 (0.46) GRM1CBLBCDK5PIM1CSNK1A1
SCHEMBL14846877 0.66 IDH1 (0.48) TRPV1PIM1MAP4K1
SCHEMBL22204175 0.66 NPC1 (0.49) GRM1MAP3K5ROCK1
SCHEMBL21211920 0.66 PIM1 (0.44) GRM1CBLBCDK5PIM1CSNK1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183231-A1 MONOCYCLIC COMPOUNDS USEFUL AS GPR120 MODULATORS Valo Health, LLC 2023-06-15 US disclosed
US-20230183231-A1 MONOCYCLIC COMPOUNDS USEFUL AS GPR120 MODULATORS Valo Health, LLC 2023-06-15 US disclosed
WO-2018049324-A1 MONOCYCLIC COMPOUNDS USEFUL AS GPR120 MODULATORS NUMERATE, INC. (US) 2018-03-15 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-20230183231-A1 MONOCYCLIC COMPOUNDS USEFUL AS GPR120 MODULATORS GPR119, GPR180, GPR65 TRPV1 142/4885GRM1 57/4885CBLB 4577/4885

“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.