SCHEMBL3577666

SCHEMBL3577666

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.52
TRPV1 Q8NER1 8/20 0.47
EPHB4 P54760 1/20 0.47
TEK Q02763 1/20 0.45
BLM P54132 1/20 0.45
RAF1 P04049 1/20 0.45
BRAF P15056 1/20 0.45
RIPK1 Q13546 1/20 0.44

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
SCHEMBL3581507 0.94 KDR (0.51) KDRTRPV1EPHB4TEKBLM
SCHEMBL3572047 0.94 KDR (0.51) KDRTRPV1EPHB4TEKBLM
SCHEMBL1463047 0.93 KDR (0.57) KDRTRPV1
SCHEMBL3579515 0.93 KDR (0.47) KDRBLMRAF1BRAFRIPK1
SCHEMBL5474093 0.89 KDR (0.46) KDRTRPV1EPHB4TEKRAF1
SCHEMBL3576165 0.88 GRIK1 (0.48) KDR
SCHEMBL1463337 0.87 KDR (0.54) KDRTRPV1
SCHEMBL1463280 0.87 KDR (0.56) KDRTRPV1
SCHEMBL5296488 0.86 SMN1; SMN2 (0.47) KDRTRPV1EPHB4
SCHEMBL3581862 0.86 KDR (0.48) KDRBLMRAF1BRAFRIPK1

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 KDR 1142/4885TRPV1 41/4885EPHB4 3224/4885
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers CLIC1, CLIC4, CLCN2 KDR 2480/4885TRPV1 25/4885EPHB4 2259/4885

“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.