SCHEMBL21354697

SCHEMBL21354697

CC(C)(C)CC(=O)Nc1nc2cc(F)c(C#N)cc2n1C1(C)CCC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 4/20 0.33
GPR119 Q8TDV5 1/20 0.33
AR P10275 3/20 0.33
ALK Q9UM73 1/20 0.33
KCNQ3 O43525 2/20 0.32
RET P07949 1/20 0.31
CYP11B1 P15538 3/20 0.31
CYP11B2 P19099 3/20 0.31
BACE1 P56817 1/20 0.31
CSNK1D P48730 1/20 0.31
CACNA1H O95180 3/20 0.30
EGLN2 Q96KS0 1/20 0.30
IDO1 P14902 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
SCHEMBL30315388 1.00 KCNQ2 (0.33) KCNQ2GPR119ARALKKCNQ3
SCHEMBL18792009 0.90 AR (0.32) GPR119ARALKCYP11B1CYP11B2
SCHEMBL18792010 0.88 AR (0.33) ARALKRET
SCHEMBL20111114 0.88 AR (0.33) ARALKRET
SCHEMBL18792002 0.88 AR (0.33) ARALKRET
SCHEMBL21354596 0.87 AR (0.35) ARALK
SCHEMBL30315476 0.87 AR (0.35) ARALK
SCHEMBL18779244 0.85 KCNQ2 (0.35) KCNQ2KCNQ3CSNK1D
SCHEMBL21354675 0.83 KCNQ2 (0.33) KCNQ2ARKCNQ3RETCSNK1D
SCHEMBL21354597 0.83 TRPV4 (0.38) KCNQ2ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002349-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE BIOHAVEN THERAPEUTICS LTD (US) 2024-01-04 US disclosed
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-20230000831-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE CHANNEL BIOSCIENCES, LLC 2023-01-05 US disclosed
US-11261162-B2 KV7 channel activators compositions and methods of use KNOPP BIOSCIENCES, LLC (US) 2022-03-01 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-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-10851067-B2 Kv7 channel activators compositions and methods of use KNOPP BIOSCIENCES LLC (US) 2020-12-01 US disclosed
US-20190284142-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE CHANNEL BIOSCIENCES, LLC 2019-09-19 US disclosed
US-20190284142-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE CHANNEL BIOSCIENCES, LLC 2019-09-19 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-11261162-B2 KV7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 KCNQ2 10/4885GPR119 1300/4885AR 3812/4885
US-20190284142-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 KCNQ2 10/4885GPR119 1300/4885AR 3812/4885
US-11724990-B2 Kv7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 KCNQ2 10/4885GPR119 1300/4885AR 3812/4885
US-20230000831-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 KCNQ2 10/4885GPR119 1300/4885AR 3812/4885
US-10851067-B2 Kv7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 KCNQ2 10/4885GPR119 1300/4885AR 3812/4885
US-20210130299-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 KCNQ2 10/4885GPR119 1300/4885AR 3812/4885
US-20240002349-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 KCNQ2 10/4885GPR119 1300/4885AR 3812/4885

“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.