SCHEMBL2114178

SCHEMBL2114178

CCN(CC)C(CC(N)=O)n1c(C=C2C(=O)Nc3ccccc32)cc(C)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 10/20 0.42
▸ FGFR1 P11362 6/20 0.42
▸ PDGFRB P09619 4/20 0.42
▸ SRC P12931 3/20 0.42
▸ PIM1 P11309 1/20 0.40
▸ FLT1 P17948 5/20 0.40
▸ RET P07949 4/20 0.40
▸ FLT3 P36888 4/20 0.40
▸ ALK Q9UM73 4/20 0.40
▸ AURKA O14965 3/20 0.40
▸ MAP4K2 Q12851 3/20 0.40
▸ STK3 Q13188 3/20 0.40
▸ AURKB Q96GD4 3/20 0.40
▸ CSF1R P07333 3/20 0.40
▸ FGFR3 P22607 3/20 0.40
▸ FLT4 P35916 3/20 0.40
▸ ZAP70 P43403 3/20 0.40
▸ PLK4 O00444 2/20 0.40
▸ PDPK1 O15530 2/20 0.40
▸ JAK2 O60674 2/20 0.40

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
SCHEMBL2114542 0.91 PDGFRB (0.45) KDRFGFR1PDGFRBSRCFLT3
SCHEMBL2117426 0.89 PDGFRB (0.45) KDRFGFR1PDGFRBSRCRET
SCHEMBL2117434 0.88 RET (0.44) KDRFGFR1PDGFRBSRCPIM1
SCHEMBL2115632 0.88 KDR (0.45) KDRFGFR1PDGFRBSRCFLT3
SCHEMBL2117534 0.74 CCNB2 (0.42) KDRFGFR1PDGFRBSRCRET
SCHEMBL2116290 0.74 LRRK2 (0.41) KDRFGFR1PDGFRBSRCRET
SCHEMBL2113982 0.74 KDR (0.47) KDRFGFR1PDGFRBSRCFLT3
SCHEMBL2114046 0.73 PDGFRB (0.45) KDRFGFR1PDGFRBSRCRET
SCHEMBL2113729 0.73 PDGFRB (0.43) KDRFGFR1PDGFRBSRCRET
SCHEMBL2116323 0.72 KDR (0.45) KDRFGFR1PDGFRBSRCRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094998-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates NEKTAR THERAPEUTICS (US) 2012-04-19 — — US disclosed
US-7125905-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2006-10-24 — — 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 (1 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-20120094998-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates PTK2B, ERBB2, FRK KDR 395/4885FGFR1 462/4885PDGFRB 555/4885

“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.

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