SCHEMBL18779273

SCHEMBL18779273

CC(C)(O)CC(=O)Nc1nc2ccc(Cl)c(C#N)c2n1C1CCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40
JAK2 O60674 5/20 0.37
JAK1 P23458 5/20 0.37
TYK2 P29597 5/20 0.37
JAK3 P52333 5/20 0.37
ALK Q9UM73 7/20 0.34
SMO Q99835 1/20 0.34
EGFR P00533 3/20 0.33
CYP2D6 P10635 1/20 0.33
BDKRB1 P46663 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3R2 O00459 1/20 0.32
ACACB O00763 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
SCHEMBL29701144 0.93 KDM4E (0.40) KDM4EALDH1A1HPGDHIF1AJAK2
SCHEMBL21354557 0.93 KDM4E (0.40) KDM4EALDH1A1HPGDHIF1AJAK2
SCHEMBL18791963 0.89 KDM4E (0.40) KDM4EALDH1A1HPGDHIF1AALK
SCHEMBL18791864 0.89 KDM4E (0.40) KDM4EALDH1A1HPGDHIF1AALK
SCHEMBL20111000 0.89 KDM4E (0.40) KDM4EALDH1A1HPGDHIF1AALK
SCHEMBL18779282 0.89 JAK2 (0.40) KDM4EALDH1A1HPGDHIF1AJAK2
SCHEMBL18779226 0.79 ALK (0.37) JAK2JAK1TYK2JAK3ALK
SCHEMBL18791700 0.79 ALK (0.38) KDM4EALDH1A1HPGDHIF1AJAK2
SCHEMBL17582946 0.79 TRPV4 (0.49) ALKEGFR
SCHEMBL30659141 0.79 TRPV4 (0.49) ALKEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11724990-B2 Kv7 channel activators compositions and methods of use BIOHAVEN THERAPEUTICS LTD. (VG) 2023-08-15 US disclosed
US-11724990-B2 Kv7 channel activators compositions and methods of use BIOHAVEN THERAPEUTICS LTD. (VG) 2023-08-15 US disclosed
US-20230000831-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE CHANNEL BIOSCIENCES, LLC 2023-01-05 US disclosed
US-20210130299-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-05-06 US disclosed
US-10851067-B2 Kv7 channel activators compositions and methods of use KNOPP BIOSCIENCES LLC (US) 2020-12-01 US disclosed
US-20200062714-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS CHANNEL BIOSCIENCES, LLC 2020-02-27 US disclosed
US-20190284142-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE CHANNEL BIOSCIENCES, LLC 2019-09-19 US disclosed
WO-2018081825-A1 BENZOIMIDAZOL-1, 2-YL AMIDES AS KV7 CHANNEL ACTIVATORS KNOPP BIOSCIENCES LLC (US) 2018-05-03 WO disclosed
US-20170114022-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS CHANNEL BIOSCIENCES, LLC 2017-04-27 US disclosed
US-20170114022-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS CHANNEL BIOSCIENCES, LLC 2017-04-27 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 (7 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-20190284142-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 KDM4E 1486/4885ALDH1A1 3093/4885HPGD 4074/4885
US-11724990-B2 Kv7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 KDM4E 1486/4885ALDH1A1 3093/4885HPGD 4074/4885
US-20230000831-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 KDM4E 1486/4885ALDH1A1 3093/4885HPGD 4074/4885
US-20170114022-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 KDM4E 611/4885ALDH1A1 2106/4885HPGD 3268/4885
US-10851067-B2 Kv7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 KDM4E 1486/4885ALDH1A1 3093/4885HPGD 4074/4885
US-20210130299-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 KDM4E 1486/4885ALDH1A1 3093/4885HPGD 4074/4885
US-20200062714-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 KDM4E 611/4885ALDH1A1 2106/4885HPGD 3268/4885

“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.