SCHEMBL6348672

SCHEMBL6348672

CN(C)c1ccc(F)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.50
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 1/20 0.46
SNCA P37840 1/20 0.39
APP P05067 4/20 0.39
EGFR P00533 2/20 0.37
MAT2A P31153 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHRM5 P08912 1/20 0.37
CHKA P35790 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TERT O14746 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL12324226 0.83 MAPT (0.50) ALDH1A1TSHRALOX15HSD17B10SNCA
SCHEMBL8984426 0.82 FOLH1 (0.36) KCNH2SNCACYP3A4
SCHEMBL484098 0.78 SNCA (0.53) SNCAAPPMAPT
SCHEMBL2641766 0.78 APP (0.61) KCNH2ALDH1A1ALOX15APPMAT2A
SCHEMBL2641773 0.78 APP (0.61) KCNH2ALDH1A1ALOX15APPMAT2A
SCHEMBL18221638 0.73 ALDH1A1 (0.48) KCNH2ALDH1A1TSHRALOX15HSD17B10
SCHEMBL2304520 0.73 ALDH1A1 (0.48) KCNH2ALDH1A1TSHRALOX15HSD17B10
SCHEMBL32687870 0.72 KCNH2 (0.41) KCNH2ALDH1A1TSHRALOX15HSD17B10
SCHEMBL2125699 0.71 APP (0.47) KCNH2ALDH1A1TSHRALOX15HSD17B10
SCHEMBL31563753 0.71 ALDH1A1 (0.46) KCNH2ALDH1A1TSHRALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499519-B2 Fused pyrimidine compounds and use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2016-11-22 US disclosed
US-20160068513-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2016-03-10 US disclosed
WO-2014105958-A2 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-03 WO disclosed
US-20050101783-A1 N-(heterocycle-methyl)alkylamine derivative, process for producing the same, and bactericide KUREHA CORPORATION (JP) 2005-05-12 US disclosed
EP-1391450-A1 N-(HETEROCYCLE-METHYL)ALKYLAMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND BACTERICIDE Kureha Chemical Industry Co., Ltd. (JP) 2004-02-25 EP disclosed
US-6271385-B1 FUNGICIDES (SUCH AS THOSE FOR USE IN FARMING AND HORTICULTURE). KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2001-08-07 US disclosed
EP-1020441-A1 N-HETEROCYCLIC METHYLPROPYLAMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND GERMICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-07-19 EP 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-20050101783-A1 N-(heterocycle-methyl)alkylamine derivative, process for producing the same, and bactericide HBZ, ACMSD, HDHD5 KCNH2 443/4885ALDH1A1 4359/4885TSHR 1602/4885
US-20160068513-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF IGF1R, FGFR3, FGFR1 KCNH2 3366/4885ALDH1A1 3567/4885TSHR 144/4885

“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.