SCHEMBL14224680

SCHEMBL14224680

Cn1cc(N)cc1-c1nc2cc(OCCN3CCOCC3)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.54
PDGFRB P09619 2/20 0.51
FGFR1 P11362 2/20 0.51
KDR P35968 1/20 0.51
RUNX1 Q01196 3/20 0.50
LTA4H P09960 1/20 0.48
MAOA P21397 1/20 0.46
PDGFRA P16234 1/20 0.45
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SYK P43405 1/20 0.43
SRC P12931 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL14224672 0.84 ACHE (0.50) ACHEPDGFRBFGFR1KDRRUNX1
SCHEMBL21017211 0.77 ACHE (0.74) ACHERUNX1LTA4HNPC1
SCHEMBL14224673 0.75 PDGFRB (0.45) ACHEPDGFRBFGFR1KDRRUNX1
SCHEMBL3383838 0.75 FGFR1 (0.87) ACHEPDGFRBFGFR1KDRLTA4H
SCHEMBL19228811 0.74 ACHE (0.66) ACHEPDGFRBFGFR1KDRRUNX1
SCHEMBL5952294 0.74 FGFR1 (0.65) ACHEPDGFRBFGFR1KDRRUNX1
SCHEMBL17525972 0.74 RUNX1 (0.86) ACHEPDGFRBFGFR1KDRRUNX1
SCHEMBL21018063 0.74 ACHE (0.82) ACHEPDGFRBFGFR1KDRRUNX1
SCHEMBL3382470 0.74 KDR (0.60) ACHEPDGFRBFGFR1KDRRUNX1
SCHEMBL13373318 0.73 KDM4E (0.56) ACHEPDGFRBFGFR1LTA4HMAOA

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-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS GENESOFT PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-7265129-B2 Anti-infective biaryl compounds GENESOFT PHARMACEUTICALS, INC. (US) 2007-09-04 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-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS QTRT1, Q6ZSR9, QTRT2 ACHE 634/4885PDGFRB 3401/4885FGFR1 4274/4885

“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.