SCHEMBL4474789

SCHEMBL4474789

C=CCn1nc(C(=O)c2cccc(O)c2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 1/20 0.38
PARP1 P09874 1/20 0.37
FASN P49327 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
PMP22 Q01453 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
DYRK1A Q13627 3/20 0.36
CLK1 P49759 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
PTGER4 P35408 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36

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 0.86 CLK1 (0.39) CYP2C19PARP1FASNCYP1A2CYP3A4
SCHEMBL4475989 0.86 CYP2C19 (0.39) CYP2C19PARP1FASNCYP1A2CYP3A4
SCHEMBL4481869 0.86 CLK1 (0.39) CYP2C19PARP1FASNCYP1A2CYP3A4
SCHEMBL4491938 0.82 CYP2C19 (0.40) CYP2C19PARP1FASNCYP1A2CYP3A4
SCHEMBL4481117 0.82 PTGER4 (0.54) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL4473871 0.82 CNR1 (0.43) CYP2C19ESR1CYP1A2CYP3A4TSHR
SCHEMBL4493511 0.81 CYP2C19 (0.41) CYP2C19DYRK1ACLK1DYRK1BKDM4E
SCHEMBL2977171 0.81 ELANE (0.46) NPSR1PTGER4MEN1KMT2AKDM4E
SCHEMBL2982125 0.81 PTGER4 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL2986233 0.79 PTGER4 (0.42) PTGER4KDM4ELMNAELANE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060106084-A1 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones WYETH (US) 2006-05-18 US claimed
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 CYP2C19 70/4885ESR1 890/4885ESR2 1463/4885

“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.