SCHEMBL4339028

SCHEMBL4339028

CC1(C)OB(c2cc3cc(C=O)ccc3s2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.41
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDR P35968 3/20 0.33
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
HCK P08631 1/20 0.33
SRC P12931 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
EPHB4 P54760 1/20 0.33
PRKDC P78527 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
P4HB P07237 1/20 0.32
PDGFRB P09619 2/20 0.31
SNCA P37840 1/20 0.30

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
SCHEMBL13721705 0.78 MAPK1 (0.34) SNCALPLLIPG
SCHEMBL17669989 0.78 PDGFRB (0.35) ALDH1A1KDRPDGFRBSNCALPL
SCHEMBL16010464 0.78 LPL (0.42) KDRPDGFRBSNCALPLLIPG
SCHEMBL25234076 0.75 NPC1 (0.35) KDRPDGFRBSNCALPLLIPG
SCHEMBL30457570 0.75 NPC1 (0.35) KDRPDGFRBSNCALPLLIPG
SCHEMBL119228 0.75 LPL (0.44) CYP2A6LPLLIPG
SCHEMBL20984011 0.74 LIPG (0.51) KDRPIK3CAPI4KBPDGFRBSNCA
SCHEMBL4291980 0.74 PDGFRB (0.39) KDRPDGFRBSNCALPLLIPG
SCHEMBL17669995 0.73 PDGFRB (0.48) KDRPDGFRB
SCHEMBL12162014 0.73 LPL (0.35) SNCALPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027093-A2 SUBSTITUTED CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2009-02-25 EP disclosed
WO-2007146323-A2 SUBSTITUTED CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2007-12-21 WO disclosed
US-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors WYETH 2007-12-13 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-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K6 CYP2A6 3211/4885ALDH1A1 3084/4885HSD17B10 4631/4885

“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.