SCHEMBL5950286

SCHEMBL5950286

O=C(Nc1ccncc1)Nc1ccc(C(F)(F)F)c(F)c1F

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
MDM2 Q00987 1/20 0.54
KMT2A Q03164 7/20 0.54
MEN1 O00255 6/20 0.54
TAAR1 Q96RJ0 2/20 0.54
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
POLB P06746 1/20 0.48
RIPK1 Q13546 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
EPHX2 P34913 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
EGFR P00533 1/20 0.45
FGFR1 P11362 1/20 0.45
KDR P35968 1/20 0.45
TYK2 P29597 1/20 0.45

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
SCHEMBL5950380 0.84 TAAR1 (0.54) HTTKMT2AMEN1TAAR1EPHX2
SCHEMBL5640146 0.82 HTT (0.70) HTTMDM2KMT2AMEN1TAAR1
SCHEMBL5950273 0.80 S1PR2 (0.55) CA12CA1CA2CA9TRPV1
SCHEMBL5950423 0.77 KDR (0.74) CA1CA2CA9TRPV1KDR
SCHEMBL5950253 0.75 KMT2A (0.61) HTTMDM2KMT2AMEN1TAAR1
SCHEMBL10020286 0.74 MDM2 (1.00) HTTMDM2KMT2AMEN1TAAR1
SCHEMBL6185456 0.73 KIF11 (0.49) HTTKMT2AMEN1CA12CA1
SCHEMBL10738489 0.73 EPHX2 (0.42) KMT2AMEN1CA12CA1CA2
SCHEMBL14514333 0.73 KMT2A (0.55) HTTMDM2KMT2AMEN1TAAR1
SCHEMBL31668740 0.72 MDM2 (0.95) HTTMDM2KMT2AMEN1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers NEUROSEARCH A/S (DK) 2006-07-20 US claimed
US-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers NEUROSEARCH A/S (DK) 2006-07-20 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 (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-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers KIT, ORAI1, CACNA1C HTT 2417/4885MDM2 4300/4885KMT2A 774/4885

“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.