SCHEMBL3595046

SCHEMBL3595046

COCc1nccc(Oc2ccc3c(C(=O)O)cccc3c2)n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.51
AURKA O14965 7/20 0.48
MET P08581 7/20 0.48
TEK Q02763 7/20 0.48
AURKB Q96GD4 6/20 0.48
LCK P06239 4/20 0.48
LYN P07948 2/20 0.48
ABL1 P00519 1/20 0.48
FLT1 P17948 2/20 0.47
RET P07949 1/20 0.47

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
SCHEMBL272701 0.90 KDR (0.50) KDRAURKAMETTEKAURKB
SCHEMBL3582067 0.88 KDR (0.53) KDRAURKAMETTEKAURKB
SCHEMBL279238 0.87 KDR (0.70) KDRFLT1RET
SCHEMBL2470527 0.84 KDR (0.66) KDRFLT1RET
SCHEMBL2468881 0.83 KDR (0.68) KDRAURKAMETTEKAURKB
SCHEMBL2473044 0.82 KDR (0.57) KDRFLT1RET
SCHEMBL272837 0.82 KDR (0.56) KDRFLT1RET
SCHEMBL2469884 0.81 KDR (0.63) KDRFLT1RET
SCHEMBL2467345 0.81 KDR (0.56) KDRFLT1RET
SCHEMBL2747970 0.81 KDR (0.55) KDRFLT1RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-05-17 US claimed
US-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers NOVARTIS AG (CH) 2010-02-04 US claimed
EP-1996558-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES Novartis AG (CH) 2008-12-03 EP claimed
WO-2007104538-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2007-09-20 WO claimed
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-05-17 US disclosed
US-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers NOVARTIS AG (CH) 2010-02-04 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 (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-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers SLC8B1, MCU, GLS KDR 3083/4885AURKA 2811/4885MET 3237/4885
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES MAP3K20, PHKG1, PHKG2 KDR 1319/4885AURKA 343/4885MET 688/4885

“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.