SCHEMBL1596963

SCHEMBL1596963

CNC(=O)CNC(=O)c1ccc(/C=C/c2n[nH]c3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.53
CHEK1 O14757 4/20 0.53
FGFR1 P11362 3/20 0.53
AURKA O14965 3/20 0.53
FLT3 P36888 2/20 0.53
MAPK8 P45983 2/20 0.53
BMPR1B O00238 1/20 0.53
PLK4 O00444 1/20 0.53
STK25 O00506 1/20 0.53
CIT O14578 1/20 0.53
RIOK3 O14730 1/20 0.53
IKBKB O14920 1/20 0.53
GAK O14976 1/20 0.53
DCLK1 O15075 1/20 0.53
CHUK O15111 1/20 0.53
MUSK O15146 1/20 0.53
EPHB6 O15197 1/20 0.53
PDPK1 O15530 1/20 0.53
MAP3K13 O43283 1/20 0.53
DAPK3 O43293 1/20 0.53

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
SCHEMBL1596967 1.00 KDR (0.53) KDRCHEK1FGFR1AURKAFLT3
SCHEMBL1596669 0.88 KDR (0.55) KDRCHEK1FGFR1AURKAFLT3
SCHEMBL1596665 0.88 KDR (0.55) KDRCHEK1FGFR1AURKAFLT3
SCHEMBL1597445 0.87 KDR (0.60) KDRCHEK1FGFR1AURKAFLT3
SCHEMBL1597443 0.87 KDR (0.60) KDRCHEK1FGFR1AURKAFLT3
Hydrochloric Acid SCHEMBL1596842 0.85 KDR (0.53) KDRCHEK1FGFR1AURKAFLT3
Hydrochloric Acid SCHEMBL1596845 0.85 KDR (0.53) KDRCHEK1FGFR1AURKAFLT3
SCHEMBL1596900 0.84 KDR (0.50) KDRCHEK1FGFR1AURKAFLT3
SCHEMBL1596895 0.84 KDR (0.50) KDRCHEK1FGFR1AURKAFLT3
SCHEMBL1597305 0.83 KDR (0.53) KDRCHEK1FGFR1AURKAFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919517-B2 Indazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-04-05 US disclosed
US-20090082348-A1 INDAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-03-26 US disclosed
US-7470717-B2 Indazole derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-12-30 US disclosed
US-20070117856-A1 Indazole derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 US disclosed
EP-1652842-A1 INDAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-05-03 EP 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-20070117856-A1 Indazole derivatives IGF1R, NR0B2, ADRA2B KDR 383/4885CHEK1 2191/4885FGFR1 261/4885
US-20090082348-A1 INDAZOLE DERIVATIVES IGF1R, NR0B2, ADRA2B KDR 383/4885CHEK1 2191/4885FGFR1 261/4885

“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.