SCHEMBL2115512

SCHEMBL2115512

COc1ccccc1-c1ccc2c(c1)NC(=O)C2=Cc1c(-c2ccccc2)c(C(=O)O)c(C)n1C(C(N)=O)N(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 11/20 0.49
▸ PDGFRB P09619 9/20 0.49
▸ FGFR1 P11362 9/20 0.49
▸ EGFR P00533 7/20 0.49
▸ SRC P12931 1/20 0.44
▸ CHEK1 O14757 9/20 0.42
▸ CHEK2 O96017 1/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37
▸ TUBB2A Q13885 1/20 0.37
▸ TUBB8 Q3ZCM7 1/20 0.37
▸ TUBA3E Q6PEY2 1/20 0.37
▸ TUBA1A Q71U36 1/20 0.37
▸ TUBA1C Q9BQE3 1/20 0.37
▸ TUBB6 Q9BUF5 1/20 0.37

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
SCHEMBL2115777 0.86 PDGFRB (0.47) KDRPDGFRBFGFR1EGFRSRC
SCHEMBL2118752 0.84 KDR (0.46) KDRPDGFRBFGFR1EGFRSRC
SCHEMBL2116213 0.82 FGFR1 (0.51) KDRPDGFRBFGFR1EGFRSRC
SCHEMBL2113955 0.81 MEN1 (0.43) KDRPDGFRBFGFR1EGFRKIT
SCHEMBL3795615 0.77 KDR (0.67) KDRPDGFRBFGFR1EGFRSRC
SCHEMBL3795423 0.77 KDR (0.67) KDRPDGFRBFGFR1EGFRSRC
SCHEMBL2114117 0.76 KDR (0.46) KDRPDGFRBFGFR1EGFRSRC
SCHEMBL394231 0.75 FLT3 (0.50) KDRPDGFRBKITFLT4FLT3
SCHEMBL3718409 0.74 KDR (0.73) KDRPDGFRBFGFR1EGFRSRC
SCHEMBL4467534 0.74 KDR (0.73) KDRPDGFRBFGFR1EGFRSRC

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 1 patent. 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

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 395/4885PDGFRB 555/4885FGFR1 462/4885

“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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