SCHEMBL273217

SCHEMBL273217

Nc1cc(Cc2ccc3c(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)cccc3c2)ncn1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.68
FLT1 P17948 5/20 0.68
FLT4 P35916 5/20 0.68
PDGFRB P09619 3/20 0.46
RET P07949 2/20 0.46
KIT P10721 2/20 0.46
PDPK1 O15530 1/20 0.44
GRM4 Q14833 1/20 0.44
RIPK1 Q13546 1/20 0.41
CDK8 P49336 1/20 0.41
RAF1 P04049 1/20 0.41
GPR52 Q9Y2T5 1/20 0.40

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
SCHEMBL273411 0.90 KDR (0.57) KDRFLT1FLT4PDGFRBRET
SCHEMBL272703 0.90 KDR (0.57) KDRFLT1FLT4PDGFRBRET
SCHEMBL274571 0.89 KDR (0.56) KDRFLT1FLT4PDGFRBRET
SCHEMBL272870 0.86 KDR (0.58) KDRFLT1FLT4PDGFRBRET
SCHEMBL2430996 0.83 KDR (0.71) KDRFLT1FLT4PDGFRBRET
SCHEMBL2434427 0.82 KDR (0.57) KDRFLT1FLT4PDGFRBKIT
SCHEMBL2435963 0.81 KDR (1.00) KDRFLT1FLT4PDGFRBRET
SCHEMBL273239 0.77 KDR (0.61) KDRFLT1FLT4PDGFRBRET
SCHEMBL2467268 0.76 KDR (0.79) KDRFLT1FLT4PDGFRBRET
SCHEMBL3583506 0.76 TBXAS1 (0.47) KDRFLT1FLT4PDGFRBRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371822-A1 Heterobicyclic carboxamides as inhibitors for kinases Novartis AG (CH) 2011-10-05 EP claimed
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-05-17 US disclosed
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-05-17 US disclosed
US-8133886-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2012-03-13 US disclosed
US-8133886-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2012-03-13 US disclosed
US-8133886-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2012-03-13 US disclosed
EP-2371822-A1 Heterobicyclic carboxamides as inhibitors for kinases Novartis AG (CH) 2011-10-05 EP disclosed
US-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers NOVARTIS AG (CH) 2010-02-04 US disclosed
WO-2007104538-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2007-09-20 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-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers SLC8B1, MCU, GLS KDR 3083/4885FLT1 2466/4885FLT4 3490/4885
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES MAP3K20, PHKG1, PHKG2 KDR 1319/4885FLT1 1353/4885FLT4 1993/4885

“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.