SCHEMBL3754226

SCHEMBL3754226

Cc1sc2nc(C)n(N)c(=O)c2c1C

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAK O14976 1/20 0.67
ALDH1A1 P00352 6/20 0.55
MAPT P10636 2/20 0.52
ATM Q13315 1/20 0.52
MAPK1 P28482 2/20 0.46
LMNA P02545 2/20 0.45
USP2 O75604 1/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
Potassium Ion SCHEMBL3689408 0.83 GAK (0.63) GAKALDH1A1MAPTATMMAPK1
SCHEMBL14360622 0.80 MAPT (0.54) GAKALDH1A1MAPTATMMAPK1
SCHEMBL3754164 0.76 ALDH1A1 (0.56) ALDH1A1MAPTATMMAPK1LMNA
SCHEMBL3749453 0.71 ALDH1A1 (1.00) ALDH1A1MAPTMAPK1LMNAHTT
SCHEMBL1101894 0.68 MAPK1 (0.60) GAKALDH1A1MAPTMAPK1LMNA
SCHEMBL16428676 0.64 MAPK1 (0.54) GAKALDH1A1MAPTMAPK1LMNA
SCHEMBL3759451 0.63 LMNA (0.65) ALDH1A1MAPTMAPK1LMNAHTT
SCHEMBL16298727 0.63 MAPK1 (1.00) ALDH1A1MAPTMAPK1LMNAKDM4E
SCHEMBL13757221 0.62 MAPK1 (0.47) GAKALDH1A1MAPTMAPK1KDM4E
SCHEMBL1622072 0.62 ABCB1 (0.62) GAKMAPTMAPK1LMNAHSD17B10

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-8962639-B2 Potassium channel modulators ABBVIE INC. (US) 2015-02-24 US disclosed
WO-2010138828-A2 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305109-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 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 (1 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-20100305109-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 GAK 2067/4885ALDH1A1 1031/4885MAPT 3520/4885

“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.