SCHEMBL2114561

SCHEMBL2114561

O=C1Nc2ccc(F)cc2/C1=C/c1cc(C(=O)NCCNCCO)c[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 3/20 0.57
AKT2 P31751 7/20 0.54
PRKAA1 Q13131 7/20 0.54
KDR P35968 7/20 0.54
PRKAA2 P54646 6/20 0.54
TLK2 Q86UE8 3/20 0.54
PDPK1 O15530 3/20 0.51
PDGFRB P09619 5/20 0.49
FGFR1 P11362 3/20 0.49
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48

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
SCHEMBL31216363 0.83 KDR (0.71) PAK4AKT2PRKAA1KDRPRKAA2
SCHEMBL3799498 0.80 AKT2 (0.67) AKT2KDRTLK2PDPK1FLT3
SCHEMBL30454529 0.79 PDPK1 (0.60) AKT2KDRTLK2PDPK1FLT3
SCHEMBL13755277 0.79 KDR (0.85) PAK4AKT2PRKAA1KDRPRKAA2
SCHEMBL2115629 0.78 AKT2 (0.53) PAK4AKT2PRKAA1KDRPRKAA2
SCHEMBL4015468 0.77 PAK4 (0.54) PAK4AKT2PRKAA1KDRPRKAA2
SCHEMBL4015466 0.77 PAK4 (0.54) PAK4AKT2PRKAA1KDRPRKAA2
SCHEMBL28435601 0.73 PRKAA1 (0.84) PAK4AKT2PRKAA1KDRPRKAA2
SCHEMBL28435599 0.73 PRKAA1 (0.84) PAK4AKT2PRKAA1KDRPRKAA2
SCHEMBL4017090 0.71 CHEK1 (0.55) PAK4AKT2PRKAA1KDRPRKAA2

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-7320996-B2 Indolinone protein kinase inhibitors and cyclooxygenase inhibitors for use in combination therapy for the treatment of cancer SUGEN, INC (US) 2008-01-22 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 PAK4 404/4885AKT2 500/4885PRKAA1 881/4885

“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.