SCHEMBL4387054

SCHEMBL4387054

O=C(NC1Cc2ccccc2O1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
PGR P06401 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
AOC2 O75106 5/20 0.38
MAOA P21397 5/20 0.38
MAOB P27338 5/20 0.38
DAO P14920 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
DYRK1A Q13627 1/20 0.38
IGF1R P08069 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSP90AB1 P08238 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 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
SCHEMBL28134429 0.79 MTNR1A (0.49) HPGDTSHRNFKB1NFKB2RELA
SCHEMBL31277869 0.78 TP53 (0.53) MTNR1A
SCHEMBL21810914 0.78 TP53 (0.53) MTNR1A
SCHEMBL4513633 0.78 TP53 (0.53) MTNR1A
SCHEMBL2283276 0.75 MAPT (0.50) MTNR1AMTNR1BKDM4E
SCHEMBL15758573 0.73 HPGD (0.40) HPGDTSHRNFKB1NFKB2RELA
SCHEMBL4822121 0.73 CYP1A2 (0.41) HPGDTSHRNFKB1NFKB2RELA
SCHEMBL27581667 0.72 MAOB (0.42) HPGDTSHRNFKB1NFKB2RELA
SCHEMBL14297322 0.72 ATM (0.45) HPGDNFKB1NFKB2RELAKDM4E
SCHEMBL9239063 0.72 ALDH1A1 (0.45) HPGDTSHRNFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298820-A1 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-03 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-20090298820-A1 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3C2B HPGD 2182/4885TSHR 3987/4885PGR 868/4885

“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.