SCHEMBL18791663

SCHEMBL18791663

COc1cc2nc(NC(=O)C[C@](C)(O)c3ccccc3)n(C3CCC3)c2cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.40
MAP3K7 O43318 2/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
IDH1 O75874 6/20 0.39
NPY2R P49146 1/20 0.38
ALK Q9UM73 1/20 0.38
CXCR6 O00574 1/20 0.38
GLA P06280 1/20 0.37
MAPK1 P28482 1/20 0.37
UBE2N P61088 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL20111001 1.00 EGFR (0.40) EGFRMAP3K7IRAK4IDH1NPY2R
SCHEMBL18791660 0.89 BRD4 (0.40) EGFRIRAK4IDH1
SCHEMBL18791662 0.88 EGFR (0.38) EGFRMAP3K7IRAK4IDH1ALK
SCHEMBL18791659 0.88 EGFR (0.38) EGFRMAP3K7IRAK4IDH1ALK
SCHEMBL20110998 0.88 EGFR (0.38) EGFRMAP3K7IRAK4IDH1ALK
SCHEMBL17582949 0.85 EGFR (0.51) EGFRMAP3K7IRAK4ALK
SCHEMBL17582952 0.85 EGFR (0.51) EGFRMAP3K7IRAK4ALK
SCHEMBL21771779 0.84 IDH1 (0.38) IDH1NPY2R
SCHEMBL18791703 0.83 EGFR (0.41) EGFRMAP3K7IRAK4ALK
SCHEMBL18792008 0.83 EGFR (0.41) EGFRMAP3K7IRAK4ALK

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 4 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
US-20200062714-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS CHANNEL BIOSCIENCES, LLC 2020-02-27 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 (4 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-20170114022-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 EGFR 4329/4885MAP3K7 166/4885IRAK4 1581/4885
US-20210130299-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 EGFR 4338/4885MAP3K7 306/4885IRAK4 2954/4885
US-20200062714-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 EGFR 4329/4885MAP3K7 166/4885IRAK4 1581/4885

“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.