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Sugi Predict / Compounds / SCHEMBL12225705

SCHEMBL12225705

SCHEMBL12225705

CCN(CC)CCN(C)CCCc1ccc2c(n1)CO/C2=C1/C(=O)Nc2ccc(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 10/20 0.39
▸ PDGFRB P09619 8/20 0.39
▸ KIT P10721 7/20 0.39
▸ FLT3 P36888 6/20 0.39
▸ RET P07949 3/20 0.39
▸ FLT4 P35916 3/20 0.39
▸ FLT1 P17948 2/20 0.39
▸ ABCB1 P08183 4/20 0.36
▸ SRC P12931 3/20 0.35
▸ PRKAA1 Q13131 3/20 0.35
▸ PRKAA2 P54646 2/20 0.35
▸ PLK4 O00444 2/20 0.34
▸ DCLK1 O15075 2/20 0.34
▸ PDPK1 O15530 2/20 0.34
▸ DAPK3 O43293 2/20 0.34
▸ ROCK2 O75116 2/20 0.34
▸ RPS6KA5 O75582 2/20 0.34
▸ RPS6KA4 O75676 2/20 0.34
▸ MAP4K4 O95819 2/20 0.34
▸ CHEK2 O96017 2/20 0.34

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
SCHEMBL2197512 1.00 KDR (0.39) KDRPDGFRBKITFLT3RET
SCHEMBL2197502 1.00 KDR (0.39) KDRPDGFRBKITFLT3RET
SCHEMBL2202663 0.95 KDR (0.40) KDRPDGFRBKITFLT3RET
SCHEMBL2202662 0.95 KDR (0.40) KDRPDGFRBKITFLT3RET
SCHEMBL2199471 0.94 KDR (0.43) KDRPDGFRBKITFLT3RET
SCHEMBL2199468 0.94 KDR (0.43) KDRPDGFRBKITFLT3RET
SCHEMBL12225683 0.94 KDR (0.43) KDRPDGFRBKITFLT3RET
SCHEMBL2200040 0.91 KDR (0.42) KDRPDGFRBKITFLT3RET
SCHEMBL2200036 0.91 KDR (0.42) KDRPDGFRBKITFLT3RET
SCHEMBL12225654 0.91 KDR (0.42) KDRPDGFRBKITFLT3RET

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
US-8455535-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 — — US disclosed
US-8455535-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 — — US disclosed
US-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors ALLERGAN, INC. (US) 2011-10-20 — — US disclosed
US-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors ALLERGAN, INC. (US) 2011-10-20 — — US disclosed
US-7977351-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2011-07-12 — — US disclosed
US-7977351-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2011-07-12 — — US disclosed
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. 2008-02-21 — — US disclosed
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. 2008-02-21 — — US disclosed
WO-2007109596-A2 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2007-09-27 — — WO 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-20110257238-A1 Heteroaryl Dihydroindolones as Kinase Inhibitors REN, JAK2, ABL1 KDR 25/4885PDGFRB 11/4885KIT 367/4885
US-20080045526-A1 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS REN, JAK2, ABL1 KDR 25/4885PDGFRB 11/4885KIT 367/4885

“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.