SCHEMBL4732045

SCHEMBL4732045

O=C(O)Cc1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc12.[NaH]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 5/20 0.48
GSK3B P49841 5/20 0.48
CLK4 Q9HAZ1 5/20 0.48
KDR P35968 4/20 0.48
PRKD3 O94806 2/20 0.48
MAP4K4 O95819 2/20 0.48
AURKB Q96GD4 2/20 0.48
PRKD2 Q9BZL6 2/20 0.48
HIPK4 Q8NE63 2/20 0.48
SRPK1 Q96SB4 2/20 0.48
MAP3K20 Q9NYL2 2/20 0.48
MARK3 P27448 1/20 0.48
MAPKAPK2 P49137 1/20 0.48
PRKCZ Q05513 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PAK1 Q13153 1/20 0.48
STK3 Q13188 1/20 0.48
TAOK1 Q7L7X3 1/20 0.48
PBK Q96KB5 1/20 0.48
CSNK1G3 Q9Y6M4 1/20 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
SCHEMBL4729518 0.99 GSK3A (0.49) GSK3AGSK3BCLK4KDRPRKD3
Hydrochloric Acid SCHEMBL4730118 0.98 GSK3A (0.48) GSK3AGSK3BCLK4KDRPRKD3
SCHEMBL4732056 0.98 GSK3A (0.51) GSK3AGSK3BCLK4KDRPRKD3
SCHEMBL4732048 0.88 GSK3A (0.48) GSK3AGSK3BCLK4KDRPRKD3
SCHEMBL4731888 0.87 GAK (0.53) GSK3AGSK3BCLK4KDRPRKD3
SCHEMBL4918267 0.86 GAK (0.47) GSK3AGSK3BCLK4KDRPRKD3
SCHEMBL10955377 0.83 TAS2R14 (0.58) GSK3AGSK3BCLK4KDRPRKD3
SCHEMBL10968971 0.82 TAS2R14 (0.59) GSK3AGSK3BCLK4KDRPRKD3
SCHEMBL4729504 0.82 CXCL8 (0.62) KDRCXCL8PTGS2CYP2C9
SCHEMBL29809956 0.82 TAS2R14 (0.59) GSK3AGSK3BCLK4KDRPRKD3

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-20080139611-A1 METHODS OF USING 4-PHENYLAMINOQUINOLINES AS TOPICAL NON-STEROIDAL ANTIINFLAMMATORY COMPOUNDS MILESTONE PHARMACEUTICALS, INC. (CA) 2008-06-12 US disclosed
WO-2008048577-A1 METHODS OF USING 4-PHENYLAMINOQUINOLINES AS TOPICAL NON-STEROIDAL ANTIINFLAMMATORY COMPOUNDS MILESTONE PHARMACEUTICALS INC. (CA) 2008-04-24 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-20080139611-A1 METHODS OF USING 4-PHENYLAMINOQUINOLINES AS TOPICAL NON-STEROIDAL ANTIINFLAMMATORY COMPOUNDS PTGES2, NFKBIA, PTGES GSK3A 3711/4885GSK3B 3982/4885CLK4 2143/4885

“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.