SCHEMBL2879508

SCHEMBL2879508

Fc1cc(-c2ccc3ccccc3c2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.50
CYP19A1 P11511 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
MAPK9 P45984 2/20 0.49
MAPK10 P53779 2/20 0.49
MAPK8 P45983 1/20 0.49
GSK3B P49841 1/20 0.48
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
ALOX5 P09917 1/20 0.46
HTR2B P41595 1/20 0.45
HTR5A P47898 1/20 0.45
MAP4K4 O95819 1/20 0.45
MINK1 Q8N4C8 1/20 0.45
TNIK Q9UKE5 1/20 0.45
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2A6 P11509 1/20 0.43

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
SCHEMBL22068158 0.81 IDO1 (0.55) MAPK10MAP4K4MINK1TNIKMAPT
SCHEMBL21333215 0.79 NOTUM (0.48) MAPK10MAP4K4MINK1TNIKALDH1A1
SCHEMBL31472663 0.79 NOTUM (0.48) MAPK10MAP4K4MINK1TNIKALDH1A1
SCHEMBL25954683 0.78 MAPKAPK2 (0.53) CYP17A1CYP19A1CYP11B1CYP11B2MAPK9
SCHEMBL18703800 0.77 DYRK1A (0.57) CYP17A1CYP19A1CYP11B1CYP11B2MAPK9
SCHEMBL17445451 0.77 CYP11B1 (0.50) CYP17A1CYP19A1CYP11B1CYP11B2MAPK9
SCHEMBL16805041 0.77 DYRK1A (0.58) CYP17A1CYP19A1CYP11B1CYP11B2MAPK9
SCHEMBL30341252 0.76 NPC1 (0.51) GSK3BMAP4K4MINK1TNIKNPC1
SCHEMBL239121 0.76 ESR1 (0.71) CYP17A1CYP19A1CYP11B1CYP11B2ESR1
SCHEMBL5013872 0.76 ESR1 (0.71) CYP17A1CYP19A1CYP11B1CYP11B2ESR1

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-20100216758-A1 Pyridone Compounds MSD K.K. (JP) 2010-08-26 US disclosed
EP-1916239-A1 PYRIDONE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-30 EP 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-20100216758-A1 Pyridone Compounds NPY1R, MC5R, MC1R CYP17A1 177/4885CYP19A1 91/4885CYP11B1 71/4885

“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.