SCHEMBL18779249

SCHEMBL18779249

Cc1ccc2nc(NC(=O)CC(C)(C)O)n(C3CCC3)c2c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.39
▸ ALK Q9UM73 8/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ ACSS2 Q9NR19 1/20 0.35
▸ INSR P06213 2/20 0.34
▸ LCK P06239 2/20 0.34
▸ LTK P29376 2/20 0.34
▸ AXL P30530 2/20 0.34
▸ IRAK1 P51617 2/20 0.34
▸ MAP4K2 Q12851 2/20 0.34
▸ MERTK Q12866 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ TSHR P16473 1/20 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
SCHEMBL18779226 0.91 ALK (0.37) EGFRALKCYP3A4CYP2C9CYP2D6
SCHEMBL18779264 0.88 ACACB (0.41) EGFRALKCYP3A4CYP2C9CYP2D6
SCHEMBL18791845 0.87 ACACB (0.42) EGFRALK
SCHEMBL18779261 0.85 ACACB (0.44) EGFRALKJAK2JAK1TYK2
SCHEMBL17582769 0.85 ALK (0.35) EGFRALKCYP3A4CYP2C9CYP2D6
SCHEMBL21354761 0.85 ALK (0.36) EGFRALKCYP3A4CYP2C9CYP2D6
SCHEMBL20110976 0.84 ACACB (0.36) EGFRALK
SCHEMBL18779262 0.84 CNR2 (0.38) ALK
SCHEMBL18779232 0.83 EGFR (0.36) EGFRALKCYP3A4CYP2C9CYP2D6
SCHEMBL18779255 0.83 GBA1 (0.37) —

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 2 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-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 (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 4338/4885ALK 2337/4885CYP3A4 2565/4885
US-20170114022-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 EGFR 4329/4885ALK 3025/4885CYP3A4 1656/4885

“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.

Send feedback