SCHEMBL20111388

SCHEMBL20111388

CC(O)(CC(=O)Nc1nc2c(C(F)(F)F)cc(C#N)cc2n1C1CCC1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.38
MAP3K7 O43318 2/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HIF1A Q16665 1/20 0.35
ALK Q9UM73 3/20 0.35
RORC P51449 1/20 0.34
AR P10275 2/20 0.34
IRAK1 P51617 1/20 0.34
TRPV4 Q9HBA0 2/20 0.33

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
SCHEMBL18791699 1.00 EGFR (0.38) EGFRMAP3K7IRAK4KDM4EALDH1A1
SCHEMBL18791852 0.90 ALK (0.37) EGFRMAP3K7IRAK4KDM4EALDH1A1
SCHEMBL20110999 0.90 ALK (0.37) EGFRMAP3K7IRAK4KDM4EALDH1A1
SCHEMBL18792008 0.89 EGFR (0.41) EGFRMAP3K7IRAK4ALKIRAK1
SCHEMBL20111117 0.89 EGFR (0.41) EGFRMAP3K7IRAK4ALKIRAK1
SCHEMBL18791703 0.89 EGFR (0.41) EGFRMAP3K7IRAK4ALKIRAK1
SCHEMBL18791696 0.89 ALK (0.36) EGFRKDM4EALDH1A1HPGDHIF1A
SCHEMBL20110985 0.88 EGFR (0.40) EGFRMAP3K7IRAK4IRAK1TRPV4
SCHEMBL18791988 0.88 EGFR (0.40) EGFRMAP3K7IRAK4IRAK1TRPV4
SCHEMBL18791991 0.88 EGFR (0.40) EGFRMAP3K7IRAK4IRAK1TRPV4

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 3 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-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
WO-2018081825-A1 BENZOIMIDAZOL-1, 2-YL AMIDES AS KV7 CHANNEL ACTIVATORS KNOPP BIOSCIENCES LLC (US) 2018-05-03 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 (2 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-11724990-B2 Kv7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 EGFR 4338/4885MAP3K7 306/4885IRAK4 2954/4885
US-20210130299-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 EGFR 4338/4885MAP3K7 306/4885IRAK4 2954/4885

“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.