SCHEMBL273239

SCHEMBL273239

O=C(Nc1cccc(C(F)(F)F)c1)c1cccc2cc(Cc3cc(O)ncn3)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.61
FLT1 P17948 4/20 0.61
FLT4 P35916 4/20 0.61
PDGFRB P09619 3/20 0.61
KIT P10721 3/20 0.61
RET P07949 2/20 0.61
RXFP1 Q9HBX9 7/20 0.53
P2RX1 P51575 1/20 0.49
PTGS1 P23219 1/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ABL1 P00519 1/20 0.45
EGFR P00533 1/20 0.45

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 0.86 KDR (0.57) KDRFLT1FLT4PDGFRBKIT
SCHEMBL273264 0.78 TBXAS1 (0.48) ALDH1A1LMNAL3MBTL1
SCHEMBL987105 0.78 RXFP1 (0.72) KDRFLT1FLT4PDGFRBKIT
SCHEMBL273217 0.77 KDR (0.68) KDRFLT1FLT4PDGFRBKIT
SCHEMBL272703 0.77 KDR (0.57) KDRFLT1FLT4PDGFRBKIT
SCHEMBL2436605 0.76 KDR (0.66) KDRFLT1FLT4PDGFRBKIT
SCHEMBL274571 0.76 KDR (0.56) KDRFLT1FLT4PDGFRBKIT
Bfh-772 SCHEMBL987715 0.76 KDR (1.00) KDRFLT1FLT4PDGFRBKIT
Bfh-772 SCHEMBL29366190 0.76 KDR (1.00) KDRFLT1FLT4PDGFRBKIT
SCHEMBL2439589 0.76 KDR (0.83) KDRFLT1FLT4PDGFRBKIT

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 9 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

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.