SCHEMBL21144116

SCHEMBL21144116

Cc1csc(-c2nc(NC(=O)OC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.39
ADORA1 P30542 3/20 0.39
GAA P10253 2/20 0.36
MAP4K1 Q92918 3/20 0.35
HRH3 Q9Y5N1 1/20 0.35
EGFR P00533 1/20 0.34
ERBB3 P21860 1/20 0.34
RAB9A P51151 1/20 0.34
GRM5 P41594 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GBA1 P04062 1/20 0.34
UGT8 Q16880 1/20 0.34
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 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
SCHEMBL21143614 0.90 IDH1 (0.37) ADORA2AADORA1GAAMAP4K1EGFR
SCHEMBL21144075 0.89 IDH1 (0.44) ADORA2AADORA1GAAEGFRERBB3
SCHEMBL21144147 0.89 EGFR (0.34) ADORA2AADORA1GAAMAP4K1EGFR
SCHEMBL21143650 0.89 HRH3 (0.36) ADORA2AADORA1HRH3EGFRERBB3
SCHEMBL21144121 0.89 EGFR (0.34) ADORA2AADORA1GAAMAP4K1EGFR
SCHEMBL21144431 0.89 IDH1 (0.44) UGT8RAF1
SCHEMBL19686649 0.82 IDH1 (0.44) ADORA2AKMT2ASMN1; SMN2
SCHEMBL20153238 0.80 KMT2A (0.47) ADORA2AADORA1GAAMAP4K1EGFR
SCHEMBL19686473 0.79 IDH1 (0.41) ADORA2A
SCHEMBL20399779 0.79 RAF1 (0.39) ADORA2AADORA1GAAMAP4K1EGFR

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 ADORA2A 1711/4885ADORA1 1011/4885GAA 1172/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 ADORA2A 1711/4885ADORA1 1011/4885GAA 1172/4885

“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.