SCHEMBL2546465

SCHEMBL2546465

N#Cc1n[nH]c2cc(C=O)ccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTK P33981 2/20 0.49
KIF11 P52732 2/20 0.42
CYP2A6 P11509 2/20 0.38
MAPK1 P28482 1/20 0.36
GSK3B P49841 2/20 0.33
ITK Q08881 2/20 0.33
EGFR P00533 1/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
NTRK1 P04629 1/20 0.32
TRPA1 O75762 2/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PTGS2 P35354 1/20 0.32
RAB9A P51151 1/20 0.32
AURKB Q96GD4 1/20 0.31

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
SCHEMBL30019726 1.00 TTK (0.49) TTKKIF11CYP2A6MAPK1GSK3B
SCHEMBL13727221 0.76 PDPK1 (0.55) TTKKIF11CYP2A6KDM4EAURKB
SCHEMBL3538242 0.76 TTK (0.54) TTKKIF11CYP2A6
SCHEMBL16252839 0.75 MAP2K4 (0.51) MAPK1ITKNTRK1
SCHEMBL31621168 0.75 MAP2K4 (0.44) GSK3BTRPA1ALDH1A1
SCHEMBL11977413 0.75 PDPK1 (0.58) TTKMAPK1GSK3BAURKB
SCHEMBL29952255 0.75 TTK (0.52) TTKKIF11CYP2A6GSK3BALDH1A1
SCHEMBL15942805 0.75 ITK (0.51) TTKKIF11MAPK1ITKNTRK1
SCHEMBL578196 0.75 TTK (0.52) TTKKIF11CYP2A6GSK3BALDH1A1
SCHEMBL28580618 0.75 TTK (0.52) TTKKIF11CYP2A6GSK3BALDH1A1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174541-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC 2023-06-08 US disclosed
US-11479557-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2022-10-25 US disclosed
EP-3805215-A1 INHIBITORS OF THE MENIN-MLL INTERACTION Vitae Pharmaceuticals, LLC (US) 2021-04-14 EP disclosed
US-20210053974-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC (US) 2021-02-25 US disclosed
EP-3468966-B1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS LLC (US) 2020-08-05 EP disclosed
US-10683302-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2020-06-16 US disclosed
US-RE47731-E1 Kinase inhibitors and method of treating cancer with same UNIV HEALTH NETWORK (CA) 2019-11-19 US disclosed
US-10358436-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2019-07-23 US disclosed
US-20190144459-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC 2019-05-16 US disclosed
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2018-10-04 US disclosed
US-20140045838-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIV HEALTH NETWORK (CA) 2014-02-13 US disclosed
US-20140045822-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2014-02-13 US disclosed
US-8481525-B2 Kinase inhibitors and method of treating cancer with same UNIVERSITY OF HEALTH NETWORK (CA) 2013-07-09 US disclosed
US-8481533-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-07-09 US disclosed
EP-2556071-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2013-02-13 EP disclosed
US-20120264800-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2012-10-18 US disclosed
US-8263596-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2012-09-11 US disclosed
US-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORKS (CA) 2012-06-14 US disclosed
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2011-10-27 US disclosed
WO-2011123946-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 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 (12 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-20230174541-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 TTK 835/4885KIF11 1741/4885CYP2A6 4370/4885
US-20120264800-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 TTK 93/4885KIF11 671/4885CYP2A6 1968/4885
US-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K5, MAP3K6, MAP3K1 TTK 53/4885KIF11 615/4885CYP2A6 2741/4885
US-20140045838-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 TTK 93/4885KIF11 671/4885CYP2A6 1968/4885
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 TTK 93/4885KIF11 671/4885CYP2A6 1968/4885
US-10358436-B2 Kinase inhibitors and method of treating cancer MAP3K6, MAP3K5, MAP3K19 TTK 93/4885KIF11 671/4885CYP2A6 1968/4885
US-20190144459-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 TTK 835/4885KIF11 1741/4885CYP2A6 4370/4885
US-20140045822-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K5, MAP3K6, MAP3K1 TTK 53/4885KIF11 615/4885CYP2A6 2741/4885
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 TTK 93/4885KIF11 671/4885CYP2A6 1968/4885
US-11479557-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 TTK 835/4885KIF11 1741/4885CYP2A6 4370/4885
US-10683302-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 TTK 835/4885KIF11 1741/4885CYP2A6 4370/4885
US-20210053974-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 TTK 835/4885KIF11 1741/4885CYP2A6 4370/4885

“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.