SCHEMBL3576165

SCHEMBL3576165

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.48
STAT3 P40763 1/20 0.48
MAPT P10636 1/20 0.46
CNR1 P21554 6/20 0.43
EPHX2 P34913 1/20 0.43
P2RY1 P47900 1/20 0.43
FLT3 P36888 3/20 0.42
NTRK1 P04629 1/20 0.42
RET P07949 1/20 0.42
PDGFRB P09619 1/20 0.42
LTK P29376 1/20 0.42
CDK8 P49336 1/20 0.42
NTRK3 Q16288 1/20 0.42
MAPK14 Q16539 1/20 0.42
NTRK2 Q16620 1/20 0.42
AURKB Q96GD4 1/20 0.42
KDR P35968 3/20 0.42
KIT P10721 2/20 0.42
ABL1 P00519 1/20 0.42
LCK P06239 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
SCHEMBL3574142 0.92 PSEN1 (0.44) GRIK1STAT3FLT3NTRK1NTRK2
SCHEMBL3581506 0.92 MAPT (0.43) GRIK1STAT3MAPTEPHX2P2RY1
SCHEMBL3581371 0.90 NTRK1 (0.53) GRIK1MAPTCNR1FLT3NTRK1
SCHEMBL3579491 0.89 PSEN1 (0.47) MAPTEPHX2FLT3NTRK1RET
SCHEMBL3581507 0.89 KDR (0.51) KDRCA1CA2CA9
SCHEMBL3577666 0.88 KDR (0.52) KDR
SCHEMBL3584463 0.88 KDR (0.47) FLT3NTRK1RETPDGFRBLTK
SCHEMBL3579515 0.88 KDR (0.47) CNR1FLT3RETNTRK3AURKB
SCHEMBL3584713 0.87 MTOR (0.41) MAPTEPHX2FLT3NTRK1RET
SCHEMBL3577053 0.86 KDR (0.51) GRIK1MAPTFLT3NTRK1RET

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 216/4885STAT3 1311/4885MAPT 109/4885
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers CLIC1, CLIC4, CLCN2 GRIK1 2063/4885STAT3 4535/4885MAPT 3250/4885

“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.