SCHEMBL4481869

SCHEMBL4481869

C/C=C/Cn1nc(C(=O)c2cccc(O)c2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.39
DYRK1A Q13627 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
CYP2C19 P33261 1/20 0.39
ELANE P08246 10/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
F2 P00734 1/20 0.35
PLAU P00749 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
PMP22 Q01453 1/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PARP1 P09874 1/20 0.35
FASN P49327 1/20 0.35

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
SCHEMBL4481873 1.00 CLK1 (0.39) CLK1DYRK1ADYRK1BCYP2C19ELANE
SCHEMBL4475989 0.86 CYP2C19 (0.39) CLK1DYRK1ADYRK1BCYP2C19ELANE
SCHEMBL4474789 0.86 CYP2C19 (0.38) CLK1DYRK1ADYRK1BCYP2C19ELANE
SCHEMBL4473871 0.82 CNR1 (0.43) CLK1DYRK1ADYRK1BCYP2C19ELANE
SCHEMBL4493511 0.81 CYP2C19 (0.41) CLK1DYRK1ADYRK1BCYP2C19ELANE
SCHEMBL4491938 0.81 CYP2C19 (0.40) CLK1DYRK1ADYRK1BCYP2C19ELANE
SCHEMBL4481117 0.80 PTGER4 (0.54) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL6951336 0.79 TSHR (0.50) MEN1POLBKMT2ACYP1A2CYP3A4
SCHEMBL6951338 0.79 TSHR (0.50) MEN1POLBKMT2ACYP1A2CYP3A4
SCHEMBL6956741 0.78 TSHR (0.41) ELANEF2PLAUCYP1A2CYP3A4

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-7598286-B2 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones WYETH (US) 2009-10-06 US disclosed
US-20060106084-A1 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones WYETH (US) 2006-05-18 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 (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-20060106084-A1 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones PTGS1, NOS3, PTGIS CLK1 3572/4885DYRK1A 2565/4885DYRK1B 2724/4885

“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.