SCHEMBL7794443

SCHEMBL7794443

CC(C)(C)C(=O)N(Br)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
LMNA P02545 1/20 0.42
KMT2A Q03164 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 3/20 0.39
MEN1 O00255 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 1/20 0.39
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
TP53 P04637 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
SCHEMBL230178 0.82 POLB (0.60) POLBLMNAKMT2ANPC1RAB9A
SCHEMBL19318513 0.81 POLB (0.59) POLBLMNAKMT2ANPC1RAB9A
SCHEMBL6762345 0.80 ALDH1A1 (0.47) POLBLMNAKMT2ANPC1RAB9A
SCHEMBL6902506 0.77 NPC1 (0.42) POLBLMNAKMT2ANPC1RAB9A
SCHEMBL17364385 0.74 POLB (0.68) POLBLMNAKMT2ATSHRCYP2C19
SCHEMBL6907371 0.74 TSHR (0.43) POLBLMNAKMT2ANPC1RAB9A
SCHEMBL10607816 0.72 POLB (0.50) POLBLMNAKMT2ANPC1RAB9A
SCHEMBL231039 0.72 POLB (0.50) POLBLMNAKMT2ANPC1RAB9A
SCHEMBL10949660 0.72 POLB (0.50) POLBKMT2ANPC1RAB9AHTT
SCHEMBL17365660 0.71 POLB (0.63) POLBLMNAKMT2ARAB9AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010049379-A1 2-aminopyridines containing fused ring substituents LOWE JOHN ADAMS (US) 2001-12-06 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-20010049379-A1 2-aminopyridines containing fused ring substituents NOS2, NOS1, NOS3 POLB 2828/4885LMNA 3027/4885KMT2A 1528/4885

“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.