SCHEMBL3577164

SCHEMBL3577164

O=C(Nc1cccc(Br)c1)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1-c1nnn[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.46
KDR P35968 6/20 0.42
KIT P10721 3/20 0.42
FLT3 P36888 3/20 0.42
LCK P06239 2/20 0.42
FYN P06241 2/20 0.42
CSF1R P07333 2/20 0.42
LYN P07948 2/20 0.42
FLT1 P17948 2/20 0.42
FLT4 P35916 2/20 0.42
BLK P51451 2/20 0.42
NTRK1 P04629 2/20 0.42
NTRK2 Q16620 2/20 0.42
AURKB Q96GD4 2/20 0.42
PLK4 O00444 1/20 0.42
AURKA O14965 1/20 0.42
ROCK2 O75116 1/20 0.42
CHEK2 O96017 1/20 0.42
EGFR P00533 1/20 0.42
EPHA2 P29317 1/20 0.42

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
SCHEMBL3577053 0.92 KDR (0.51) GRIK1KDRKITFLT3LCK
SCHEMBL1462393 0.87 GRIK1 (0.60) GRIK1KDRKITFLT3LCK
SCHEMBL3579491 0.86 PSEN1 (0.47) KDRKITFLT3LCKFYN
SCHEMBL3574323 0.86 KIF11 (0.40) GPR35
SCHEMBL4718263 0.85 GPR35 (0.47) GRIK1MTORBAZ1AGPR35
SCHEMBL3581371 0.85 NTRK1 (0.53) GRIK1KDRKITFLT3LCK
SCHEMBL1463540 0.85 GRIK1 (0.50) GRIK1KDRKITFLT3CSF1R
SCHEMBL3584713 0.85 MTOR (0.41) KDRKITFLT3LCKFYN
SCHEMBL5474091 0.84 GRIK1 (0.48) GRIK1KDRKITFLT3LCK
SCHEMBL5471427 0.84 RXFP1 (0.50) GRIK1KDRKITFLT3LCK

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
US-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators NEUROSEARCH A/S (DK) 2007-12-20 US claimed
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers NEUSEARCH A/S (DK) 2006-08-10 US claimed
US-7691891-B2 Diphenylurea derivatives and their use as chloride channel blockers NEUROSEARCH A/S (DK) 2010-04-06 US disclosed
US-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators NEUROSEARCH A/S (DK) 2007-12-20 US disclosed
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers NEUSEARCH A/S (DK) 2006-08-10 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 (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-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators KCNJ2, KCNH2, KCNH3 GRIK1 216/4885KDR 1142/4885KIT 1089/4885
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers CLIC1, CLIC4, CLCN2 GRIK1 2063/4885KDR 2480/4885KIT 4075/4885

“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.