SCHEMBL5126891

SCHEMBL5126891

CC(C)(CN)Oc1cc(Nc2ccnc3c(C(F)(F)F)cccc23)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 3/20 0.38
EGFR P00533 3/20 0.37
ITK Q08881 1/20 0.37
GSK3A P49840 2/20 0.37
GSK3B P49841 2/20 0.37
DYRK3 O43781 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
FLT4 P35916 1/20 0.37
CSNK1D P48730 1/20 0.37
CLK2 P49760 1/20 0.37
LIMK1 P53667 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CDK5 Q00535 1/20 0.37
STK3 Q13188 1/20 0.37
DYRK1A Q13627 1/20 0.37
BRSK1 Q8TDC3 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37

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
SCHEMBL4824720 0.81 UTS2R (0.58) GAKEGFRGSK3AGSK3BDYRK3
SCHEMBL5129444 0.81 GAK (0.57) GAKEGFREPHB6RIPK2ABL1
SCHEMBL5123308 0.78 GAK (0.55) GAKCYP1A2CYP2C8CYP2D6CYP2C9
SCHEMBL5132193 0.73 LMNA (0.51) SMN1; SMN2KDM4EHTT
SCHEMBL17044089 0.70 GRM4 (0.45) GAKEGFRRIPK2COQ8ANLK
SCHEMBL5129252 0.69 BCL6 (0.41) EGFRITKKDR
SCHEMBL11337731 0.69 AURKA (0.51) GSK3AGSK3BDYRK3PRKD3MAP4K4
SCHEMBL11241988 0.67 AURKA (0.55) GSK3AGSK3BDYRK3PRKD3MAP4K4
SCHEMBL5122523 0.67 ABCG2 (0.59) SMN1; SMN2
SCHEMBL7505444 0.66 SMN1; SMN2 (0.46) GSK3AGSK3BDYRK3PRKD3MAP4K4

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-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 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 (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-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 GAK 2544/4885EGFR 2169/4885ITK 2799/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 GAK 2544/4885EGFR 2169/4885ITK 2799/4885

“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.