SCHEMBL3581371

SCHEMBL3581371

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.53
CDK19 Q9BWU1 1/20 0.53
GRIK1 P39086 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDR P35968 8/20 0.50
KIT P10721 5/20 0.48
FLT3 P36888 5/20 0.48
CSF1R P07333 4/20 0.48
FLT1 P17948 4/20 0.48
FYN P06241 3/20 0.48
FLT4 P35916 3/20 0.48
NTRK2 Q16620 3/20 0.48
AURKB Q96GD4 3/20 0.48
LCK P06239 2/20 0.48
LYN P07948 2/20 0.48
BLK P51451 2/20 0.48
EPHA2 P29317 2/20 0.48
RPS6KA3 P51812 2/20 0.48
MARK2 Q7KZI7 2/20 0.48

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 0.93 KDR (0.51) NTRK1CDK19GRIK1MEN1KMT2A
SCHEMBL19716261 0.92 NTRK1 (0.59) NTRK1CDK19GRIK1MEN1KMT2A
SCHEMBL3574142 0.92 PSEN1 (0.44) NTRK1CDK19GRIK1MEN1KMT2A
SCHEMBL5474091 0.90 GRIK1 (0.48) NTRK1GRIK1MEN1KMT2AKDR
SCHEMBL3576165 0.90 GRIK1 (0.48) NTRK1GRIK1KDRKITFLT3
SCHEMBL5468488 0.89 KDR (0.49) NTRK1MEN1KMT2AKDRKIT
SCHEMBL3573627 0.89 P2RY1 (0.47) NTRK1CDK19GRIK1MEN1KMT2A
SCHEMBL5468806 0.88 MEN1 (0.48) NTRK1GRIK1MEN1KMT2AKDR
SCHEMBL5471923 0.88 GRIK1 (0.51) NTRK1GRIK1MEN1KMT2AKDR
SCHEMBL3570022 0.88 KDR (0.45) NTRK1MEN1KMT2AKDRKIT

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 NTRK1 2009/4885CDK19 4075/4885GRIK1 216/4885
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers CLIC1, CLIC4, CLCN2 NTRK1 4658/4885CDK19 4760/4885GRIK1 2063/4885

“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.