SCHEMBL18249554

SCHEMBL18249554

NCCOc1c[c]c2nc(C(N)=O)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 1/20 0.34
PIM1 P11309 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
MKNK2 Q9HBH9 2/20 0.32
MKNK1 Q9BUB5 1/20 0.32
APP P05067 2/20 0.32
IKBKB O14920 1/20 0.32
AKT1 P31749 2/20 0.32
CHUK O15111 1/20 0.32
DYRK3 O43781 1/20 0.32
ROCK2 O75116 1/20 0.32
RPS6KA5 O75582 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
PHKG2 P15735 1/20 0.32
PRKACA P17612 1/20 0.32
CLK2 P49760 1/20 0.32
PRKX P51817 1/20 0.32

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
SCHEMBL18249538 0.91 PARP1 (0.36) ADAPIM1APPLRRK2HRH3
SCHEMBL18249543 0.85 KDM4E (0.47) PIM1MKNK2DYRK3MAP4K4PKN2
SCHEMBL4482433 0.81 APP (0.43) PIM1APPPARP10
SCHEMBL18249537 0.81 KDM4E (0.45) HRH3
SCHEMBL18249535 0.81 CHEK2 (0.48) PIM1
SCHEMBL11973737 0.77 SCN9A (0.38) PIM1
SCHEMBL11972998 0.73 PIM1 (0.38) PIM1APPLCK
SCHEMBL14955110 0.73 PIM1 (0.38) PIM1LCK
SCHEMBL16146298 0.68 PTPN1 (0.34) PIM1LRRK2HRH3LCK
SCHEMBL19329369 0.64 PIM1 (0.49) PIM1LCK

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-10457662-B2 Substituted amides for treating and preventing cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-29 US disclosed
US-20180282296-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2018-10-04 US disclosed
WO-2016187544-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-24 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 (2 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-20180282296-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER NNT, NQO1, NAMPT ADA 848/4885PIM1 4418/4885TAAR1 4810/4885
US-10457662-B2 Substituted amides for treating and preventing cancer NQO1, NNT, SIRT1 ADA 1859/4885PIM1 3705/4885TAAR1 3569/4885

“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.