SCHEMBL16294230

SCHEMBL16294230

COCCOc1cc2ncnc(Cl)c2cc1OC(=O)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 3/20 0.54
▸ KDM1A O60341 3/20 0.45
▸ KDR P35968 8/20 0.44
▸ EGFR P00533 4/20 0.44
▸ FLT1 P17948 2/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ FGFR1 P11362 1/20 0.42
▸ FGFR2 P21802 1/20 0.42
▸ FGFR4 P22455 1/20 0.42
▸ FGFR3 P22607 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL16294645 0.89 ENPP1 (0.50) ENPP1KDREGFRFLT1
SCHEMBL17967514 0.87 ENPP1 (0.59) ENPP1KDREGFRFLT1
SCHEMBL29478510 0.85 ENPP1 (0.71) ENPP1KDM1AKDREGFRFLT1
SCHEMBL163465 0.85 ENPP1 (0.71) ENPP1KDM1AKDREGFRFLT1
Hydrochloric Acid SCHEMBL8307436 0.84 ENPP1 (0.69) ENPP1KDM1AKDREGFRFLT1
SCHEMBL28407634 0.81 ENPP1 (0.63) ENPP1KDM1AKDREGFRFLT1
SCHEMBL28412498 0.81 ENPP1 (0.63) ENPP1KDM1AKDREGFRFLT1
SCHEMBL1010156 0.81 ENPP1 (0.79) ENPP1KDM1AKDREGFRFLT1
SCHEMBL1011724 0.81 ENPP1 (0.79) ENPP1KDM1AKDREGFRFLT1
SCHEMBL30053845 0.81 ENPP1 (0.79) ENPP1KDM1AKDREGFRFLT1

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-20150352217-A1 Pharmaceutical Compounds Targeted by MIF Affinity-Tethered Moieties RJS BIOLOGICS LLC 2015-12-10 — — US disclosed
WO-2014200872-A9 PHARMACEUTICAL COMPOUNDS TARGETED BY MIF AFFINITY-TETHERED MOIETIES RJS BIOLOGICS LLC (US) 2015-02-05 — — WO disclosed
WO-2014200872-A1 PHARMACEUTICAL COMPOUNDS TARGETED BY MIF AFFINITY-TETHERED MOIETIES RJS BIOLOGICS LLC (US) 2014-12-18 — — WO 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 ENPP1 3752/4885KDM1A 3777/4885KDR 442/4885

“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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