SCHEMBL21246049

SCHEMBL21246049

COC(=O)Cc1cn(CCCCCCN)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ICMT O60725 3/20 0.61
CDC25A P30304 1/20 0.59
CNR2 P34972 5/20 0.52
HDAC3 O15379 1/20 0.48
TERT O14746 2/20 0.47
MCL1 Q07820 3/20 0.47
CNR1 P21554 2/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL17102877 0.89 CDC25A (0.75) ICMTCDC25ACNR2CNR1
SCHEMBL15747719 0.89 CDC25A (0.75) ICMTCDC25ACNR2CNR1
SCHEMBL21245271 0.88 ICMT (0.62) ICMTCDC25ACNR2TERTMCL1
SCHEMBL21535335 0.88 CDC25A (0.73) ICMTCDC25ACNR2CNR1
SCHEMBL15747750 0.86 CDC25A (0.67) ICMTCDC25ACNR2MCL1CNR1
SCHEMBL28836620 0.86 CDC25A (0.52) ICMTCDC25ACNR2MCL1CNR1
SCHEMBL21245967 0.84 CDC25A (0.55) ICMTCDC25ACNR2HDAC3TERT
SCHEMBL15747713 0.83 CDC25A (0.59) ICMTCDC25ACNR2CNR1GAA
SCHEMBL28836439 0.82 CDC25A (0.51) ICMTCDC25ACNR2MCL1CNR1
SCHEMBL16259057 0.82 ICMT (0.61) ICMTCDC25ACNR2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230124268-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV INDIANA TRUSTEES (US) 2023-04-20 US disclosed
US-11584766-B2 Nicotinamide phosphoribosyltransferase inhibitors and methods for use of the same THE TRUSTEES OF INDIANA UNIVERSITY (US) 2023-02-21 US disclosed
US-20210070784-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2021-03-11 US disclosed
WO-2019153007-A2 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME THE BOARO OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-08-08 WO 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 (3 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-20210070784-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME NAMPT, NNT, NAPRT ICMT 387/4885CDC25A 3597/4885CNR2 2682/4885
US-20230124268-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME NAMPT, NNT, NAPRT ICMT 387/4885CDC25A 3597/4885CNR2 2682/4885
US-11584766-B2 Nicotinamide phosphoribosyltransferase inhibitors and methods for use of the same NAMPT, NNT, NAPRT ICMT 387/4885CDC25A 3597/4885CNR2 2682/4885

“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.