SCHEMBL13859622

SCHEMBL13859622

CN1CCNC(Cc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
TACR1 P25103 1/20 0.43
LMNA P02545 1/20 0.43
CARM1 Q86X55 3/20 0.43
PRMT6 Q96LA8 3/20 0.43
SLC6A4 P31645 1/20 0.41
MAOB P27338 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL13858911 0.84 HTR2B (0.47) KDM4EALDH1A1GAATACR1LMNA
SCHEMBL13859632 0.83 PLG (0.45) ALDH1A1CARM1PRMT6SLC6A4MEN1
SCHEMBL4289527 0.81 TACR1 (0.59) KDM4EALDH1A1GAATACR1LMNA
SCHEMBL13859666 0.81 POLB (0.43) ALDH1A1MEN1KMT2A
SCHEMBL13859640 0.80 OPRM1 (0.41) SLC6A4
SCHEMBL1368801 0.79 POLB (0.51) CARM1PRMT6
SCHEMBL11386097 0.79 POLB (0.51) CARM1PRMT6
SCHEMBL14986325 0.79 POLB (0.51) CARM1PRMT6
SCHEMBL11986976 0.77 ALDH1A1 (0.51) GALR3KDM4EALDH1A1GAALMNA
SCHEMBL10132521 0.77 POLB (0.54) KDM4EALDH1A1GAATACR1SLC6A4

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-7528132-B2 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; indazolyl [1,2,4]triazine compounds SCHERING CORPORATION (US) 2009-05-05 US disclosed
US-20080004257-A1 Kinase inhibitors SCHERING CORPORATION 2008-01-03 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-20080004257-A1 Kinase inhibitors MAP3K1, MAP3K13, MAP3K6 GALR3 2251/4885KDM4E 2198/4885ALDH1A1 2101/4885

“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.