SCHEMBL1783191

SCHEMBL1783191

CCCCCCCCCCCCCCCNc1ccc2nc(C)cnc2c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.47
ACHE P22303 3/20 0.42
DNM2 P50570 7/20 0.42
KCNH3 Q9ULD8 1/20 0.42
NQO2 P16083 1/20 0.41
S1PR2 O95136 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TERT O14746 1/20 0.39
PLK1 P53350 1/20 0.39

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
SCHEMBL1785420 0.82 ABL1 (0.51) ABL1DNM2KCNH3S1PR2LMNA
SCHEMBL1784168 0.80 ABL1 (0.44) ABL1ACHEDNM2KCNH3S1PR2
SCHEMBL1782973 0.79 SMN1; SMN2 (0.54) LMNASMN1; SMN2
SCHEMBL8216585 0.77 ABL1 (0.53) ABL1ACHEDNM2KCNH3S1PR2
SCHEMBL8212647 0.77 ABL1 (0.53) ABL1ACHEDNM2KCNH3S1PR2
SCHEMBL8214084 0.77 ABL1 (0.53) ABL1ACHEDNM2KCNH3S1PR2
SCHEMBL1783878 0.77 ABL1 (0.47) ABL1ACHEDNM2KCNH3S1PR2
SCHEMBL18386498 0.75 KCNH3 (0.48) ABL1DNM2KCNH3S1PR2LMNA
Decane SCHEMBL11419386 0.75 KDM4E (0.50) SMN1; SMN2
Hexadecane SCHEMBL11412808 0.75 KDM4E (0.50) SMN1; SMN2

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-8445511-B2 Quinoline or quinoxaline derivatives for treating neurodegenerative diseases Centre National de la Recherche Scientifique (SNRS) (FR) 2013-05-21 US disclosed
US-20110118270-A1 HETEROCYCLIC DERIVATIVES THAT ARE USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE(CNRS) 2011-05-19 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-20110118270-A1 HETEROCYCLIC DERIVATIVES THAT ARE USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES HCRTR2, HCRTR1, CHRNA2 ABL1 3272/4885ACHE 848/4885DNM2 2062/4885

“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.