SCHEMBL5133392

SCHEMBL5133392

Nc1cc(Oc2ccc3c(C(=O)O)nccc3c2)ncn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.48
FLT1 P17948 4/20 0.48
FLT4 P35916 4/20 0.48
KMO O15229 1/20 0.41
BRAF P15056 1/20 0.40
MAPK14 Q16539 1/20 0.40
TNNI3K Q59H18 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.38
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36

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
SCHEMBL273546 0.86 KMO (0.48) KDRFLT1FLT4KMOLOXL2
SCHEMBL3307893 0.82 KDR (0.49) KDRFLT1FLT4LOXL2RET
SCHEMBL3308437 0.81 KDR (0.46) KDRKMOBRAFMAPK14TNNI3K
SCHEMBL2436216 0.81 KDR (0.63) KDRFLT1FLT4KMOBRAF
SCHEMBL2434609 0.80 MEN1 (0.52) KDRFLT1FLT4KMOLOXL2
SCHEMBL2709724 0.77 KDR (0.49) KDRFLT1FLT4KMOBRAF
SCHEMBL273417 0.77 KMO (0.42) KDRFLT1FLT4KMOEGLN2
SCHEMBL2437183 0.77 KDR (0.78) KDRFLT1FLT4BRAFMAPK14
SCHEMBL2434355 0.76 KDR (0.76) KDRFLT1FLT4BRAFMAPK14
SCHEMBL3312219 0.75 KDR (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS NOVARTIS AG 2011-12-08 US disclosed
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors NOVARTIS AG (CH) 2008-11-20 US disclosed
EP-1794149-A2 BICYCLIC AMIDES AS KINASE INHIBITORS Novartis AG (CH) 2007-06-13 EP disclosed
WO-2006059234-A2 BICYCLIC AMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-06-08 WO 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-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 KDR 826/4885FLT1 638/4885FLT4 944/4885
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors MAP3K20, MAP3K1, MAP3K19 KDR 888/4885FLT1 678/4885FLT4 992/4885

“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.