SCHEMBL5451886

SCHEMBL5451886

FC(F)(F)c1ccc(Cn2cnc3c(Cl)ncnc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.63
FGFR1 P11362 9/20 0.56
FGFR4 P22455 9/20 0.56
NR3C1 P04150 4/20 0.49
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
NSD2 O96028 1/20 0.48
NSD3 Q9BZ95 1/20 0.48
ADORA2A P29274 2/20 0.48
PI4KA P42356 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48
PI4K2A Q9BTU6 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
ADORA1 P30542 1/20 0.47

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
SCHEMBL5456446 0.86 HDAC6 (0.62) HDAC6FGFR1FGFR4ADORA2API4KA
SCHEMBL6659705 0.84 HDAC6 (0.62) HDAC6FGFR1FGFR4ADORA2API4KA
SCHEMBL5458680 0.83 HDAC6 (0.56) HDAC6FGFR1FGFR4HDAC4HDAC1
SCHEMBL15921464 0.82 ADORA2A (0.52) HDAC6NR3C1HDAC4HDAC1ADORA2A
SCHEMBL5453774 0.81 HDAC6 (0.62) HDAC6FGFR1FGFR4ADORA2API4KA
SCHEMBL30984022 0.81 ADORA2A (0.70) HDAC6FGFR1FGFR4ADORA2API4KA
SCHEMBL2980291 0.81 ADORA2A (0.70) HDAC6FGFR1FGFR4ADORA2API4KA
SCHEMBL5458877 0.79 HDAC6 (0.60) HDAC6FGFR1FGFR4ADORA2API4KA
SCHEMBL23977294 0.78 HDAC6 (0.58) HDAC6FGFR1FGFR4ADORA2API4KA
SCHEMBL5467542 0.78 FGFR1 (0.59) HDAC6FGFR1FGFR4

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-20070203159-A1 Purine compounds UNIVERSITETET I OLSO (NO) 2007-08-30 US disclosed
US-20070015750-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAEURLE STEFAN 2007-01-18 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 (2 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-20070203159-A1 Purine compounds PNP, UMPS, TYMP HDAC6 4066/4885FGFR1 3760/4885FGFR4 3148/4885
US-20070015750-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES HDAC6 1242/4885FGFR1 2806/4885FGFR4 2708/4885

“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.