SCHEMBL17327980

SCHEMBL17327980

COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCOCCNC(=O)C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.70
ERBB2 P04626 7/20 0.68
HDAC3 O15379 6/20 0.68
HDAC4 P56524 6/20 0.68
HDAC1 Q13547 6/20 0.68
HDAC7 Q8WUI4 6/20 0.68
HDAC2 Q92769 6/20 0.68
HDAC10 Q969S8 6/20 0.68
HDAC11 Q96DB2 6/20 0.68
HDAC8 Q9BY41 6/20 0.68
HDAC6 Q9UBN7 6/20 0.68
HDAC9 Q9UKV0 6/20 0.68
HDAC5 Q9UQL6 6/20 0.68
KDR P35968 2/20 0.65
AURKA O14965 1/20 0.65
INSR P06213 1/20 0.65
FBP1 P09467 1/20 0.65
PDGFRB P09619 1/20 0.65
FLT4 P35916 1/20 0.65
CLK1 P49759 1/20 0.65

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
SCHEMBL18402669 0.87 EGFR (0.89) EGFRERBB2KDRAURKAINSR
SCHEMBL20305795 0.86 EGFR (0.74) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL23703468 0.85 EGFR (0.77) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL13497930 0.85 EGFR (0.79) EGFRERBB2KDRAURKAINSR
SCHEMBL16295327 0.85 EGFR (0.78) EGFRERBB2KDRAURKAINSR
SCHEMBL13883011 0.85 EGFR (0.80) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL20305537 0.83 EGFR (0.70) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL30279467 0.83 EGFR (0.73) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL5911613 0.83 EGFR (0.73) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL17327991 0.83 EGFR (0.78) EGFRERBB2KDRAURKAINSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9549988-B2 Pharmaceutical compounds targeted by MIF affinity-tethered moieties RJS Biologics (US) 2017-01-24 US disclosed
US-9549988-B2 Pharmaceutical compounds targeted by MIF affinity-tethered moieties RJS Biologics (US) 2017-01-24 US disclosed
US-20150352217-A1 Pharmaceutical Compounds Targeted by MIF Affinity-Tethered Moieties RJS BIOLOGICS LLC 2015-12-10 US disclosed
US-20150352217-A1 Pharmaceutical Compounds Targeted by MIF Affinity-Tethered Moieties RJS BIOLOGICS LLC 2015-12-10 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-20150352217-A1 Pharmaceutical Compounds Targeted by MIF Affinity-Tethered Moieties MIF, HMGB2, HMGB1 EGFR 1994/4885ERBB2 1829/4885HDAC3 790/4885

“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.