SCHEMBL21144121

SCHEMBL21144121

O=C(Nc1cc(N2CCOCC2)nc(-c2nc(CF)cs2)n1)OC1CCC(F)(F)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.34
ERBB3 P21860 1/20 0.34
RAB9A P51151 1/20 0.34
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
ADORA2A P29274 3/20 0.33
ADORA1 P30542 3/20 0.33
AKT1 P31749 4/20 0.33
PDPK1 O15530 1/20 0.33
NAPEPLD Q6IQ20 1/20 0.33
PIK3CG P48736 1/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAF1 P04049 1/20 0.32
KIF18A Q8NI77 1/20 0.32
UGT8 Q16880 1/20 0.32
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
MAP4K1 Q92918 1/20 0.32

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
SCHEMBL21143650 0.93 HRH3 (0.36) EGFRERBB3RAB9APIK3CAMTOR
SCHEMBL21144116 0.89 ADORA2A (0.39) EGFRERBB3RAB9AADORA2AADORA1
SCHEMBL21144075 0.89 IDH1 (0.44) EGFRERBB3RAB9APIK3CAMTOR
SCHEMBL21144147 0.89 EGFR (0.34) EGFRERBB3RAB9APIK3CAMTOR
SCHEMBL21144431 0.88 IDH1 (0.44) RAF1UGT8
SCHEMBL21143614 0.87 IDH1 (0.37) EGFRERBB3RAB9AADORA2AADORA1
SCHEMBL19686956 0.83 IDH1 (0.43) PIK3CA
SCHEMBL20153238 0.77 KMT2A (0.47) EGFRERBB3RAB9AADORA2AADORA1
SCHEMBL21144117 0.77 NPSR1 (0.32) PIK3CAMTORAKT1NAPEPLDPIK3CG
SCHEMBL20399779 0.77 RAF1 (0.39) EGFRERBB3RAB9APIK3CAMTOR

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-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 EGFR 4474/4885ERBB3 4678/4885RAB9A 1362/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 EGFR 4474/4885ERBB3 4678/4885RAB9A 1362/4885

“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.