SCHEMBL2116512

SCHEMBL2116512

Cc1c(C(=O)O)c(C)n(C(C(N)=O)N2CCCC2)c1C=C1C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 1/20 0.39
▸ AKT2 P31751 2/20 0.36
▸ PDPK1 O15530 2/20 0.36
▸ LRRK2 Q5S007 1/20 0.35
▸ AURKB Q96GD4 4/20 0.35
▸ AURKA O14965 3/20 0.35
▸ KDR P35968 4/20 0.35
▸ LCK P06239 3/20 0.35
▸ YES1 P07947 3/20 0.35
▸ PDGFRB P09619 3/20 0.35
▸ FGFR1 P11362 3/20 0.35
▸ SRC P12931 3/20 0.35
▸ FYN P06241 2/20 0.35
▸ GAA P10253 1/20 0.34
▸ MET P08581 2/20 0.34
▸ TGM2 P21980 1/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ SYK P43405 1/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ RIOK3 O14730 1/20 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
SCHEMBL2115620 0.89 MGAT2 (0.41) PRKDCAURKBAURKAKDRLCK
SCHEMBL2114228 0.82 SRC (0.45) AURKBAURKAKDRLCKYES1
SCHEMBL2116233 0.80 FLT3 (0.41) AKT2PDPK1LRRK2KDRPDGFRB
SCHEMBL2114496 0.79 LRRK2 (0.42) AKT2PDPK1LRRK2KDRPDGFRB
SCHEMBL2117957 0.79 MEN1 (0.46) KDRPDGFRBFGFR1SRCPLK4
SCHEMBL1673441 0.79 ALK (0.52) PDPK1LRRK2AURKBAURKAKDR
SCHEMBL3801277 0.77 ALK (0.57) PRKDCAURKBAURKAKDRPDGFRB
SCHEMBL3800332 0.77 ALK (0.57) PRKDCAURKBAURKAKDRPDGFRB
SCHEMBL393773 0.76 TLK2 (0.48) AKT2PDPK1AURKAKDRNTRK1
SCHEMBL2114212 0.74 KDR (0.44) KDRPDGFRBFGFR1SRCCDK2

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 PRKDC 195/4885AKT2 500/4885PDPK1 240/4885

“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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