Sugi Predict

Sugi Predict / Compounds / SCHEMBL12602180

SCHEMBL12602180

SCHEMBL12602180

CCN(CC)CCNC(=O)c1c[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 14/20 0.73
▸ PRKAA1 Q13131 8/20 0.73
▸ FLT3 P36888 7/20 0.73
▸ PRKAA2 P54646 7/20 0.73
▸ PDGFRB P09619 6/20 0.73
▸ FGFR1 P11362 4/20 0.73
▸ CSF1R P07333 3/20 0.73
▸ EGFR P00533 3/20 0.73
▸ PLK4 O00444 2/20 0.73
▸ DCLK1 O15075 2/20 0.73
▸ PDPK1 O15530 2/20 0.73
▸ DAPK3 O43293 2/20 0.73
▸ ROCK2 O75116 2/20 0.73
▸ RPS6KA5 O75582 2/20 0.73
▸ RPS6KA4 O75676 2/20 0.73
▸ MAP4K4 O95819 2/20 0.73
▸ CHEK2 O96017 2/20 0.73
▸ NTRK1 P04629 2/20 0.73
▸ INSR P06213 2/20 0.73
▸ LCK P06239 2/20 0.73

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
SCHEMBL29540079 0.87 PRKAA1 (0.71) KDRPRKAA1FLT3PRKAA2PDGFRB
SCHEMBL28912462 0.87 PRKAA1 (0.71) KDRPRKAA1FLT3PRKAA2PDGFRB
SCHEMBL22917523 0.87 PRKAA1 (0.71) KDRPRKAA1FLT3PRKAA2PDGFRB
SCHEMBL13480222 0.85 FLT3 (0.67) KDRPRKAA1FLT3PRKAA2PDGFRB
Sunitinib SCHEMBL25343938 0.84 KDR (1.00) KDRPRKAA1FLT3PRKAA2PDGFRB
Sunitinib SCHEMBL8082 0.84 KDR (1.00) KDRPRKAA1FLT3PRKAA2PDGFRB
Sunitinib SCHEMBL30314241 0.84 KDR (1.00) KDRPRKAA1FLT3PRKAA2PDGFRB
Sunitinib SCHEMBL20805212 0.84 KDR (1.00) KDRPRKAA1FLT3PRKAA2PDGFRB
Sunitinib SCHEMBL25343935 0.84 KDR (1.00) KDRPRKAA1FLT3PRKAA2PDGFRB
Sunitinib SCHEMBL8081 0.84 KDR (1.00) KDRPRKAA1FLT3PRKAA2PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180043028-A1 POLYMER-SUNITINIB CONJUGATES NEKTAR THERAPEUTICS 2018-02-15 — — US disclosed
US-9340489-B2 Process for the preparation of deuterated compounds containing N-alkyl groups SANOFI (FR) 2016-05-17 — — US disclosed
US-20140081019-A1 PROCESS FOR THE PREPARATION OF DEUTERATED COMPOUNDS CONTAINING N-ALKYL GROUPS SANOFI (FR) 2014-03-20 — — US disclosed
US-20110118477-A1 SUNITINIB AND SALTS THEREOF AND THEIR POLYMORPHS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2011-05-19 — — 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 (3 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-20110118477-A1 SUNITINIB AND SALTS THEREOF AND THEIR POLYMORPHS KDR, TP53, FLT1 KDR 1/4885PRKAA1 602/4885FLT3 19/4885
US-20140081019-A1 PROCESS FOR THE PREPARATION OF DEUTERATED COMPOUNDS CONTAINING N-ALKYL GROUPS HDHD5, DRD4, DRD2 KDR 3539/4885PRKAA1 2936/4885FLT3 2101/4885
US-20180043028-A1 POLYMER-SUNITINIB CONJUGATES FLT4, TEK, TIE1 KDR 5/4885PRKAA1 4108/4885FLT3 107/4885

“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.