SCHEMBL1596981

SCHEMBL1596981

COCCN(C)C(=O)c1ccc(C=Cc2n[nH]c3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.56
KDR P35968 12/20 0.51
FGFR1 P11362 4/20 0.51
CHEK1 O14757 3/20 0.51
FLT3 P36888 3/20 0.51
CDK4 P11802 3/20 0.51
BMPR1B O00238 1/20 0.51
PLK4 O00444 1/20 0.51
STK25 O00506 1/20 0.51
CIT O14578 1/20 0.51
RIOK3 O14730 1/20 0.51
IKBKB O14920 1/20 0.51
AURKA O14965 1/20 0.51
GAK O14976 1/20 0.51
DCLK1 O15075 1/20 0.51
CHUK O15111 1/20 0.51
MUSK O15146 1/20 0.51
EPHB6 O15197 1/20 0.51
PDPK1 O15530 1/20 0.51
MAP3K13 O43283 1/20 0.51

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
SCHEMBL1596977 1.00 ITK (0.56) ITKKDRFGFR1CHEK1FLT3
SCHEMBL1595611 0.84 KDR (0.53) ITKKDRFGFR1CHEK1FLT3
SCHEMBL1595614 0.84 KDR (0.53) ITKKDRFGFR1CHEK1FLT3
SCHEMBL1596784 0.83 KDR (0.60) ITKKDRFGFR1CHEK1FLT3
SCHEMBL1596786 0.83 KDR (0.60) ITKKDRFGFR1CHEK1FLT3
SCHEMBL1597636 0.81 KDM4E (0.61) ITKKDRFGFR1CHEK1FLT3
SCHEMBL1597632 0.81 KDM4E (0.61) ITKKDRFGFR1CHEK1FLT3
Hydrochloric Acid SCHEMBL1595838 0.79 FLT3 (0.56) ITKKDRFGFR1CHEK1FLT3
Hydrochloric Acid SCHEMBL1595834 0.79 FLT3 (0.56) ITKKDRFGFR1CHEK1FLT3
SCHEMBL27626218 0.79 KDR (0.60) ITKKDRFGFR1CHEK1FLT3

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 7 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
CN-100390149-C Indazole derivatives KYOWA HAKKO KOGYO KK (JP) 2008-05-28 CN disclosed
US-20070117856-A1 Indazole derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 US disclosed
CN-1777590-A Indazole derivatives KYOWA HAKKO KOGYO KK (JP) 2006-05-24 CN 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 ITK 2087/4885KDR 383/4885FGFR1 261/4885
US-20090082348-A1 INDAZOLE DERIVATIVES IGF1R, NR0B2, ADRA2B ITK 2087/4885KDR 383/4885FGFR1 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.