SCHEMBL4387098

SCHEMBL4387098

NC(=O)C1CCN(Cc2ccccn2)CC1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.75
KDM4E B2RXH2 6/20 0.61
CYP2C19 P33261 2/20 0.61
POLB P06746 2/20 0.61
CYP2D6 P10635 1/20 0.61
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ALDH1A1 P00352 4/20 0.57
NPSR1 Q6W5P4 1/20 0.56
OPRM1 P35372 1/20 0.56
CYP1A2 P05177 1/20 0.55
PARP1 P09874 2/20 0.54
DRD4 P21917 1/20 0.53
SIGMAR1 Q99720 1/20 0.52

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
Hydrochloric Acid SCHEMBL27515725 0.99 L3MBTL1 (0.78) L3MBTL1KDM4ECYP2C19POLBCYP2D6
SCHEMBL6994948 0.87 L3MBTL1 (0.97) L3MBTL1KDM4ECYP2C19POLBCYP2D6
SCHEMBL994183 0.85 L3MBTL1 (0.58) L3MBTL1KDM4ECYP2C19POLBCYP2D6
Tert-Butylamine SCHEMBL28089931 0.83 L3MBTL1 (0.83) L3MBTL1KDM4ECYP2C19POLBCYP2D6
SCHEMBL28663269 0.82 L3MBTL1 (0.62) L3MBTL1KDM4ECYP2C19POLBCYP2D6
SCHEMBL21061969 0.82 L3MBTL1 (0.82) L3MBTL1KDM4ECYP2C19POLBCYP2D6
SCHEMBL21061629 0.82 L3MBTL1 (0.82) L3MBTL1KDM4ECYP2C19POLBCYP2D6
Hydrochloric Acid SCHEMBL27563112 0.81 L3MBTL1 (0.64) L3MBTL1KDM4ECYP2C19POLBCYP2D6
SCHEMBL5841484 0.81 L3MBTL1 (0.54) L3MBTL1KDM4ECYP2C19POLBCYP2D6
SCHEMBL2495181 0.80 L3MBTL1 (0.62) L3MBTL1KDM4ECYP2C19POLBCYP2D6

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 L3MBTL1 4738/4885KDM4E 738/4885CYP2C19 636/4885

“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.