SCHEMBL11026397

SCHEMBL11026397

Clc1ccccc1CBr.[Zn]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.54
PNMT P11086 2/20 0.54
TAAR1 Q96RJ0 4/20 0.50
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
PKM P14618 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CHRM2 P08172 1/20 0.43
AOC3 Q16853 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNH2 Q12809 1/20 0.42
DPP4 P27487 1/20 0.41

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
SCHEMBL1821 0.97
SCHEMBL29413238 0.97
Fluoride SCHEMBL27510759 0.95 IDO1 (0.54) IDO1PNMTTAAR1SLC6A2SLC6A4
SCHEMBL2045881 0.95 IDO1 (0.54) IDO1PNMTTAAR1SLC6A2SLC6A4
SCHEMBL9230115 0.83 NPC1 (0.44) IDO1PNMTTAAR1SLC6A2SLC6A4
SCHEMBL15863955 0.80 PNMT (0.60) IDO1PNMTTAAR1LMNATSHR
SCHEMBL29447950 0.77 TAAR1 (0.60) IDO1PNMTTAAR1SLC6A2SLC6A4
SCHEMBL490393 0.77 PNMT (0.62) IDO1PNMTTAAR1LMNATSHR
SCHEMBL320795 0.77 TAAR1 (0.60) IDO1PNMTTAAR1SLC6A2SLC6A4
SCHEMBL1051230 0.77 PNMT (0.40) IDO1PNMTTAAR1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104284899-A Tricyclic compounds and methods of use therefor HOFFMANN LA ROCHE 2015-01-14 CN disclosed
US-8859546-B2 Picolinamide inhibitors of kinases ABBVIE INC. (US) 2014-10-14 US disclosed
EP-2665711-A1 PICOLINAMIDE INHIBITORS OF KINASES Abbvie Inc. (US) 2013-11-27 EP disclosed
CN-103380117-A Picolinamide inhibitors of kinases ABBOTT LAB 2013-10-30 CN disclosed
US-20120190681-A1 PICOLINAMIDE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-07-26 US disclosed
WO-2012100135-A1 PICOLINAMIDE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-07-26 WO 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-20120190681-A1 PICOLINAMIDE INHIBITORS OF KINASES ALK, PKN2, ERBB2 IDO1 2470/4885PNMT 2443/4885TAAR1 1281/4885

“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.