SCHEMBL12425929

SCHEMBL12425929

Nc1nc2ccc(C(F)(F)F)nn2c1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
GRIA2 P42262 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
TSHR P16473 2/20 0.34
MALT1 Q9UDY8 4/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MCHR1 Q99705 2/20 0.32
DHFR P00374 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
PLAT P00750 1/20 0.30
LRRK2 Q5S007 1/20 0.30
CYP17A1 P05093 1/20 0.30
PDE8B O95263 1/20 0.30
RIPK1 Q13546 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL14999134 0.77 KDM4E (0.38) AKT1AKT2CYP11B1CYP11B2KDM4E
SCHEMBL2358092 0.71 MCHR1 (0.36) GRIA2GRIN1GRIN2ATSHRMCHR1
SCHEMBL16765148 0.71 AKT1 (0.37) AKT1AKT2KDM4EALDH1A1HPGD
SCHEMBL2355995 0.69 MCHR1 (0.35) GRIA2GRIN1GRIN2AMCHR1RIPK1
SCHEMBL2356652 0.68 CRACR2A (0.45) MCHR1KDM4EALDH1A1HPGD
SCHEMBL2354758 0.67 MCHR1 (0.33) AKT1AKT2MCHR1RIPK1KDM4E
SCHEMBL16764299 0.67 MAPK8 (0.48) LRRK2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1321003 0.65 CYP11B2 (0.56) CYP11B1CYP11B2CYP17A1
SCHEMBL17979133 0.63 MAT2A (0.33) TSHRCYP17A1KDM4EALDH1A1HSD17B10
SCHEMBL30567085 0.63 MAT2A (0.33) TSHRCYP17A1KDM4EALDH1A1HSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018208-B2 Heterocycles as potassium channel modulators ICAGEN INC. (US) 2015-04-28 US disclosed
US-20130143889-A1 Heterocycles As Potassium Channel Modulators ICAGEN INC. (US) 2013-06-06 US disclosed
US-8431608-B2 Heterocycles as potassium channel modulators ICAGEN INC. (US) 2013-04-30 US disclosed
WO-2011102964-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2011-08-25 WO disclosed
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-09-23 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-20130143889-A1 Heterocycles As Potassium Channel Modulators KCNK10, KCNK9, KCNJ2 AKT1 2512/4885AKT2 2852/4885GRIA2 477/4885
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 AKT1 2265/4885AKT2 2416/4885GRIA2 462/4885

“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.