SCHEMBL1596072

SCHEMBL1596072

O=C(O)c1cccc(C=Cc2n[nH]c3ccccc23)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.62
CHEK1 O14757 8/20 0.62
MAP2K4 P45985 2/20 0.58
MAPK6 Q16659 2/20 0.58
MAPK1 P28482 1/20 0.58
MAPKAPK3 Q16644 1/20 0.58
FGFR1 P11362 3/20 0.52
BMPR1B O00238 1/20 0.52
PLK4 O00444 1/20 0.52
STK25 O00506 1/20 0.52
CIT O14578 1/20 0.52
RIOK3 O14730 1/20 0.52
IKBKB O14920 1/20 0.52
AURKA O14965 1/20 0.52
GAK O14976 1/20 0.52
DCLK1 O15075 1/20 0.52
CHUK O15111 1/20 0.52
MUSK O15146 1/20 0.52
EPHB6 O15197 1/20 0.52
PDPK1 O15530 1/20 0.52

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
SCHEMBL1596071 1.00 KDR (0.62) KDRCHEK1MAP2K4MAPK6MAPK1
SCHEMBL11924704 0.90 KDR (0.59) KDRCHEK1MAP2K4MAPK6MAPK1
SCHEMBL1597265 0.85 KDR (0.65) KDRCHEK1MAP2K4MAPK6FGFR1
SCHEMBL1597267 0.85 KDR (0.65) KDRCHEK1MAP2K4MAPK6FGFR1
SCHEMBL5922406 0.81 CHEK1 (0.48) KDRCHEK1FGFR1AURKATTR
SCHEMBL5922402 0.81 CHEK1 (0.48) KDRCHEK1FGFR1AURKATTR
SCHEMBL2458766 0.81 CHEK1 (0.67) KDRCHEK1MAP2K4MAPK6FGFR1
SCHEMBL2458765 0.81 CHEK1 (0.67) KDRCHEK1MAP2K4MAPK6FGFR1
SCHEMBL6224476 0.80 CHEK1 (0.53) KDRCHEK1MAP2K4MAPK6MAPK1
SCHEMBL6224474 0.80 CHEK1 (0.53) KDRCHEK1MAP2K4MAPK6MAPK1

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 2191/4885MAP2K4 2138/4885
US-20090082348-A1 INDAZOLE DERIVATIVES IGF1R, NR0B2, ADRA2B KDR 383/4885CHEK1 2191/4885MAP2K4 2138/4885

“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.