SCHEMBL18779175

SCHEMBL18779175

CC(C)(C)CC(=O)Nc1nc2c(F)cc(C(C)(C)O)cc2n1C1(C)CCC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 6/20 0.35
KCNQ3 O43525 5/20 0.35
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35
CSNK1D P48730 1/20 0.32
MAP3K5 Q99683 2/20 0.32
CCNT1 O60563 2/20 0.31
CDK4 P11802 2/20 0.31
CCNA2 P20248 2/20 0.31
CCND1 P24385 2/20 0.31
CDK2 P24941 2/20 0.31
CDK9 P50750 2/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
ECE1 P42892 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL18779252 0.94 MAP3K5 (0.32) MAP3K5CCNT1CDK4CCNA2CCND1
SCHEMBL21354617 0.91 MAP3K5 (0.30) MAP3K5CCNT1CDK4CCNA2CCND1
SCHEMBL18791920 0.91 MAP3K5 (0.30) MAP3K5CCNT1CDK4CCNA2CCND1
SCHEMBL30315571 0.90 ECE1 (0.33) MAP3K5CCNT1CDK4CCNA2CCND1
SCHEMBL18779220 0.90 ECE1 (0.33) MAP3K5CCNT1CDK4CCNA2CCND1
SCHEMBL18779250 0.90 KCNQ2 (0.35) KCNQ2KCNQ3KCNQ4KCNQ5CSNK1D
SCHEMBL18779217 0.90 MAP3K5 (0.33) MAP3K5CCNT1CDK4CCNA2CCND1
SCHEMBL18791658 0.89 ACSS2 (0.35) MAP3K5ADORA1
SCHEMBL20111237 0.89 ACSS2 (0.35) MAP3K5ADORA1
SCHEMBL26008124 0.89 ALDH1A1 (0.31) CCNT1CDK4CCNA2CCND1CDK2

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 KCNQ2 10/4885KCNQ3 21/4885KCNQ4 26/4885
US-11724990-B2 Kv7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 KCNQ2 10/4885KCNQ3 21/4885KCNQ4 26/4885
US-20230000831-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 KCNQ2 10/4885KCNQ3 21/4885KCNQ4 26/4885
US-20170114022-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 KCNQ2 12/4885KCNQ3 31/4885KCNQ4 35/4885
US-10851067-B2 Kv7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 KCNQ2 10/4885KCNQ3 21/4885KCNQ4 26/4885
US-20210130299-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 KCNQ2 10/4885KCNQ3 21/4885KCNQ4 26/4885
US-20200062714-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 KCNQ2 12/4885KCNQ3 31/4885KCNQ4 35/4885

“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.