SCHEMBL18779205

SCHEMBL18779205

CC(C)(C)CC(=O)Nc1nc2cc(Cl)c(C(C)(C)O)cc2n1C1CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.40
CDK9 P50750 2/20 0.40
ALK Q9UM73 12/20 0.37
INSR P06213 2/20 0.35
LCK P06239 2/20 0.35
LTK P29376 2/20 0.35
AXL P30530 2/20 0.35
IRAK1 P51617 2/20 0.35
MAP4K2 Q12851 2/20 0.35
MERTK Q12866 2/20 0.35
NTRK1 P04629 1/20 0.35
FLT3 P36888 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34

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
SCHEMBL18779174 0.88 CYP11B2 (0.39) ALKINSRLCKLTKAXL
SCHEMBL21354690 0.87 EGFR (0.38) ALKINSRLCKLTKAXL
SCHEMBL18779190 0.86 IDH1 (0.40) ALKINSRLCKLTKAXL
SCHEMBL18779178 0.83 TRPV4 (0.39) ALKLMNAGAAL3MBTL1TRPV4
SCHEMBL30659088 0.82 ALK (0.43) ALKOPRM1OPRD1OPRK1OPRL1
SCHEMBL17582926 0.82 ALK (0.44) ALKINSRLCKLTKAXL
SCHEMBL17582876 0.82 ALK (0.43) ALKOPRM1OPRD1OPRK1OPRL1
SCHEMBL16084483 0.81 GAA (0.36) CCNT1CDK9LMNAGAAL3MBTL1
SCHEMBL18791700 0.80 ALK (0.38) CCNT1CDK9ALKTRPV4ITK
SCHEMBL20209582 0.80 OPRM1 (0.39) ALKINSRLCKLTKAXL

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 CCNT1 3713/4885CDK9 951/4885ALK 2337/4885
US-11724990-B2 Kv7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 CCNT1 3713/4885CDK9 951/4885ALK 2337/4885
US-20230000831-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 CCNT1 3713/4885CDK9 951/4885ALK 2337/4885
US-20170114022-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 CCNT1 3757/4885CDK9 2025/4885ALK 3025/4885
US-10851067-B2 Kv7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 CCNT1 3713/4885CDK9 951/4885ALK 2337/4885
US-20210130299-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 CCNT1 3713/4885CDK9 951/4885ALK 2337/4885
US-20200062714-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 CCNT1 3757/4885CDK9 2025/4885ALK 3025/4885

“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.